 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer02_STD_wB97XD_augccpVDZ.in
 Output=31_naproxen_conformer02_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/Gau-108884.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    108901.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                17-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer02_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer02_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.615023000000      0.729781000000     -0.120185000000
  C                                                 1.174818000000     -0.568179000000     -0.283542000000
  C                                                -0.780302000000      0.906987000000     -0.261681000000
  C                                                -1.617220000000     -0.146278000000     -0.555082000000
  C                                                -1.047135000000     -1.433774000000     -0.715027000000
  C                                                 0.299785000000     -1.638621000000     -0.586238000000
  C                                                 1.486810000000      1.806637000000      0.177553000000
  H                                                -1.178331000000      1.906903000000     -0.143779000000
  H                                                -1.698736000000     -2.268417000000     -0.944366000000
  H                                                 0.712660000000     -2.631458000000     -0.716974000000
  C                                                -3.119636000000     -0.001144000000     -0.656452000000
  C                                                -3.609136000000      1.393587000000     -1.071585000000
  C                                                -3.848641000000     -0.385756000000      0.641287000000
  H                                                -3.484147000000     -0.716442000000     -1.395606000000
  H                                                -3.143214000000      1.693230000000     -2.010455000000
  H                                                -3.376132000000      2.146319000000     -0.317339000000
  H                                                -4.689812000000      1.377587000000     -1.202459000000
  O                                                -4.992051000000     -0.744475000000      0.660385000000
  O                                                -3.149570000000     -0.248062000000      1.788254000000
  H                                                -2.231771000000     -0.009601000000      1.581011000000
  C                                                 2.830377000000      1.609633000000      0.308486000000
  C                                                 3.384420000000      0.315464000000      0.146592000000
  C                                                 2.571198000000     -0.754342000000     -0.144922000000
  O                                                 4.730828000000      0.251048000000      0.301729000000
  C                                                 5.361258000000     -1.010989000000      0.156412000000
  H                                                 1.070645000000      2.798805000000      0.302176000000
  H                                                 3.502511000000      2.425784000000      0.536445000000
  H                                                 2.973183000000     -1.748599000000     -0.273266000000
  H                                                 6.421812000000     -0.837666000000      0.319337000000
  H                                                 5.207672000000     -1.416612000000     -0.847613000000
  H                                                 4.990297000000     -1.725949000000      0.896247000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.422939   0.000000
     3  C    1.413632   2.449303   0.000000
     4  C    2.437114   2.836761   1.376911   0.000000
     5  C    2.792414   2.423326   2.399142   1.417119   0.000000
     6  C    2.434319   1.415328   2.784249   2.429602   1.368482
     7  C    1.417138   2.439200   2.478325   3.739737   4.209256
     8  H    2.145295   3.418022   1.082663   2.139473   3.391705
     9  H    3.875816   3.403647   3.375318   2.159088   1.083425
    10  H    3.415204   2.158373   3.867405   3.410377   2.128692
    11  C    3.843112   4.347750   2.540281   1.512810   2.520143
    12  C    4.380562   5.230273   2.982453   2.570153   3.832095
    13  C    4.663535   5.111138   3.449817   2.543204   3.284260
    14  H    4.530061   4.792142   3.351430   2.125320   2.629977
    15  H    4.315750   5.171228   3.042982   2.798313   3.981185
    16  H    4.239666   5.299131   2.877043   2.899361   4.289458
    17  H    5.452728   6.246943   4.048555   3.490284   4.627141
    18  O    5.849957   6.241182   4.616965   3.636576   4.234295
    19  O    4.332491   4.805741   3.339132   2.801728   3.477436
    20  H    3.397792   3.923444   2.518414   2.226937   2.950156
    21  C    2.421919   2.798971   3.722339   4.859022   5.034382
    22  C    2.812897   2.418301   4.226286   5.071682   4.841580
    23  C    2.455576   1.415539   3.742486   4.252155   3.725450
    24  O    4.164979   3.695792   5.578552   6.417921   6.103874
    25  C    5.062957   4.232720   6.447650   7.067751   6.481177
    26  H    2.160287   3.419137   2.706088   4.078360   4.840911
    27  H    3.412503   3.879993   4.613701   5.832545   6.096036
    28  H    3.424430   2.151189   4.597926   4.870180   4.056750
    29  H    6.030661   5.288387   7.433158   8.115951   7.563757
    30  H    5.121385   4.159558   6.449671   6.948271   6.256236
    31  H    5.119254   4.158150   6.447710   6.947014   6.255570
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723199   0.000000
     8  H    3.866696   2.686314   0.000000
     9  H    2.125790   5.292681   4.283113   0.000000
    10  H    1.083182   4.593057   4.949861   2.449150   0.000000
    11  C    3.791926   5.018265   2.769863   2.691167   4.648517
    12  C    4.970866   5.263043   2.652005   4.132322   5.916473
    13  C    4.503990   5.786940   3.605991   3.268149   5.262463
    14  H    3.977893   5.792337   3.710229   2.408306   4.662726
    15  H    4.998386   5.122242   2.718621   4.349449   5.936648
    16  H    5.283034   4.899848   2.217605   4.764107   6.301197
    17  H    5.862876   6.343436   3.705601   4.722975   6.744986
    18  O    5.509727   6.979752   4.713910   3.967814   6.164540
    19  O    4.412473   5.320918   3.501772   3.695127   5.183972
    20  H    3.709373   4.369927   2.785251   3.429855   4.563392
    21  C    4.213737   1.364231   4.045078   6.092764   4.850067
    22  C    3.724307   2.413603   4.841042   5.805610   4.070430
    23  C    2.477100   2.799732   4.597955   4.600421   2.702771
    24  O    4.898314   3.599851   6.152926   7.017104   5.048987
    25  C    5.154024   4.790700   7.167317   7.255091   4.999819
    26  H    4.590670   1.083107   2.460134   5.907629   5.536657
    27  H    5.295022   2.138971   4.758385   7.161096   5.910163
    28  H    2.693901   3.879722   5.533040   4.748412   2.467039
    29  H    6.240257   5.600597   8.093782   8.341900   6.073388
    30  H    4.919854   5.028431   7.233406   6.959411   4.658117
    31  H    4.919989   5.026938   7.234033   6.958828   4.660537
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535324   0.000000
    13  C    1.537368   2.481402   0.000000
    14  H    1.091269   2.138419   2.095505   0.000000
    15  H    2.169051   1.090113   3.442607   2.510138   0.000000
    16  H    2.189152   1.090772   2.748387   3.061001   1.768101
    17  H    2.159740   1.088689   2.686326   2.424024   1.773261
    18  O    2.406769   3.079526   1.198512   2.549835   4.061279
    19  O    2.457326   3.329398   1.350257   3.235473   4.266010
    20  H    2.407201   3.301869   1.907575   3.305801   4.077866
    21  C    6.239260   6.589279   6.978654   6.941741   6.408453
    22  C    6.561087   7.180260   7.283791   7.114803   7.011497
    23  C    5.763208   6.608240   6.478296   6.183272   6.490403
    24  O    7.912743   8.529149   8.609768   8.444098   8.332264
    25  C    8.579400   9.367920   9.243823   8.985361   9.183363
    26  H    5.130023   5.075648   5.869906   5.998796   4.932258
    27  H    7.153028   7.363879   7.871162   7.900620   7.154649
    28  H    6.350029   7.337409   7.016483   6.634916   7.230099
    29  H    9.627625  10.369815  10.285430  10.054041  10.164796
    30  H    8.448914   9.256537   9.235599   8.737176   8.986691
    31  H    8.435451   9.357036   8.943598   8.836736   9.289440
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760722   0.000000
    18  O    3.453090   2.839839   0.000000
    19  O    3.196547   3.736234   2.216585   0.000000
    20  H    3.092133   3.964084   3.001123   0.970654   0.000000
    21  C    6.261026   7.673985   8.176554   6.434323   5.465033
    22  C    7.019425   8.254772   8.458884   6.760595   5.805586
    23  C    6.619237   7.641058   7.606008   6.059759   5.157712
    24  O    8.348539   9.606255   9.780290   8.034895   7.083946
    25  C    9.302420  10.419973  10.368993   8.699377   7.790144
    26  H    4.536889   6.121001   7.031318   5.413136   4.519791
    27  H    6.937058   8.440181   9.067717   7.277820   6.316978
    28  H    7.448901   8.328141   8.082383   6.632464   5.792582
    29  H   10.262029  11.432034  11.419337   9.701376   8.784191
    30  H    9.308993  10.290464  10.332482   8.840633   7.951302
    31  H    9.298623  10.379837  10.033254   8.320893   7.454731
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.417056   0.000000
    23  C    2.420977   1.375062   0.000000
    24  O    2.336132   1.356846   2.423697   0.000000
    25  C    3.646388   2.380643   2.817997   1.418202   0.000000
    26  H    2.123871   3.397756   3.882835   4.459597   5.739785
    27  H    1.081588   2.149275   3.383017   2.508651   3.925656
    28  H    3.411239   2.146102   1.080098   2.723697   2.536059
    29  H    4.346009   3.253506   3.879395   2.011227   1.086904
    30  H    4.018240   2.704215   2.807734   2.080735   1.093702
    31  H    4.017067   2.703367   2.807150   2.080695   1.093680
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471437   0.000000
    28  H    4.962829   4.285008   0.000000
    29  H    6.469869   4.384012   3.615801   0.000000
    30  H    6.017204   4.425743   2.330886   1.780755   0.000000
    31  H    6.015812   4.424913   2.331742   1.780760   1.784374
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.80D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3776815           0.2086420           0.1975031
 Leave Link  202 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4081582636 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0212070390 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1136.3869512246 Hartrees.
 Leave Link  301 at Tue Aug 17 18:12:59 2021, MaxMem=  5368709120 cpu:               9.7 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.49D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.42D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Tue Aug 17 18:13:00 2021, MaxMem=  5368709120 cpu:               4.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Tue Aug 17 18:13:00 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer02_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Tue Aug 17 18:13:01 2021, MaxMem=  5368709120 cpu:               6.0 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.449867911055    
 DIIS: error= 1.84D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.449867911055     IErMin= 1 ErrMin= 1.84D-03
 ErrMax= 1.84D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.45D-03 BMatP= 9.45D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.84D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.301 Goal=   None    Shift=    0.000
 GapD=    0.301 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.30D-02 MaxDP=6.44D+00              OVMax= 1.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.73D-02    CP:  1.40D+00
 E= -767.457345947873     Delta-E=       -0.007478036818 Rises=F Damp=F
 DIIS: error= 2.73D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.457345947873     IErMin= 2 ErrMin= 2.73D-04
 ErrMax= 2.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-04 BMatP= 9.45D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.73D-03
 Coeff-Com: -0.263D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.262D-01 0.103D+01
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=7.67D-03 MaxDP=9.19D-01 DE=-7.48D-03 OVMax= 5.75D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.61D-03    CP:  1.47D+00  1.13D+00
 E= -767.457522646240     Delta-E=       -0.000176698367 Rises=F Damp=F
 DIIS: error= 3.47D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.457522646240     IErMin= 2 ErrMin= 2.73D-04
 ErrMax= 3.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-04 BMatP= 2.09D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.47D-03
 Coeff-Com: -0.382D-01 0.524D+00 0.514D+00
 Coeff-En:   0.000D+00 0.396D-01 0.960D+00
 Coeff:     -0.381D-01 0.522D+00 0.516D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=5.41D-04 MaxDP=6.28D-02 DE=-1.77D-04 OVMax= 1.79D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.47D+00  1.14D+00  1.10D+00
 E= -767.457665145458     Delta-E=       -0.000142499218 Rises=F Damp=F
 DIIS: error= 5.51D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.457665145458     IErMin= 4 ErrMin= 5.51D-05
 ErrMax= 5.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.90D-06 BMatP= 2.05D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.382D-02-0.119D-01 0.958D-01 0.920D+00
 Coeff:     -0.382D-02-0.119D-01 0.958D-01 0.920D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=2.50D-04 MaxDP=2.89D-02 DE=-1.42D-04 OVMax= 1.05D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.28D-05    CP:  1.48D+00  1.14D+00  1.16D+00  1.34D+00
 E= -767.457672623061     Delta-E=       -0.000007477603 Rises=F Damp=F
 DIIS: error= 1.90D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.457672623061     IErMin= 5 ErrMin= 1.90D-05
 ErrMax= 1.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-06 BMatP= 4.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.204D-02-0.549D-01-0.142D-01 0.386D+00 0.681D+00
 Coeff:      0.204D-02-0.549D-01-0.142D-01 0.386D+00 0.681D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=3.43D-05 MaxDP=2.87D-03 DE=-7.48D-06 OVMax= 4.12D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.91D-05    CP:  1.48D+00  1.15D+00  1.17D+00  1.45D+00  1.15D+00
 E= -767.457674154695     Delta-E=       -0.000001531634 Rises=F Damp=F
 DIIS: error= 1.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.457674154695     IErMin= 6 ErrMin= 1.14D-05
 ErrMax= 1.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-07 BMatP= 1.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-02-0.228D-01-0.183D-01 0.558D-01 0.299D+00 0.685D+00
 Coeff:      0.139D-02-0.228D-01-0.183D-01 0.558D-01 0.299D+00 0.685D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=1.47D-03 DE=-1.53D-06 OVMax= 1.83D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.27D-06    CP:  1.48D+00  1.14D+00  1.17D+00  1.47D+00  1.22D+00
                    CP:  1.16D+00
 E= -767.457674405092     Delta-E=       -0.000000250397 Rises=F Damp=F
 DIIS: error= 4.78D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.457674405092     IErMin= 7 ErrMin= 4.78D-06
 ErrMax= 4.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-08 BMatP= 1.84D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-03 0.404D-03-0.405D-02-0.453D-01-0.286D-02 0.265D+00
 Coeff-Com:  0.787D+00
 Coeff:      0.208D-03 0.404D-03-0.405D-02-0.453D-01-0.286D-02 0.265D+00
 Coeff:      0.787D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=1.27D-03 DE=-2.50D-07 OVMax= 1.13D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.52D-06    CP:  1.48D+00  1.14D+00  1.17D+00  1.48D+00  1.25D+00
                    CP:  1.21D+00  1.29D+00
 E= -767.457674460434     Delta-E=       -0.000000055343 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.457674460434     IErMin= 8 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-09 BMatP= 2.73D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-03 0.386D-02 0.202D-02-0.244D-01-0.522D-01-0.387D-01
 Coeff-Com:  0.263D+00 0.846D+00
 Coeff:     -0.158D-03 0.386D-02 0.202D-02-0.244D-01-0.522D-01-0.387D-01
 Coeff:      0.263D+00 0.846D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=3.34D-06 MaxDP=3.03D-04 DE=-5.53D-08 OVMax= 5.86D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  1.48D+00  1.14D+00  1.17D+00  1.48D+00  1.25D+00
                    CP:  1.23D+00  1.30D+00  1.38D+00
 E= -767.457674470260     Delta-E=       -0.000000009825 Rises=F Damp=F
 DIIS: error= 7.64D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.457674470260     IErMin= 9 ErrMin= 7.64D-07
 ErrMax= 7.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.25D-10 BMatP= 4.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.873D-04 0.153D-02 0.138D-02-0.494D-02-0.221D-01-0.527D-01
 Coeff-Com:  0.145D-01 0.384D+00 0.679D+00
 Coeff:     -0.873D-04 0.153D-02 0.138D-02-0.494D-02-0.221D-01-0.527D-01
 Coeff:      0.145D-01 0.384D+00 0.679D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=9.70D-07 MaxDP=8.49D-05 DE=-9.83D-09 OVMax= 1.89D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.07D-07    CP:  1.48D+00  1.14D+00  1.17D+00  1.48D+00  1.25D+00
                    CP:  1.23D+00  1.33D+00  1.41D+00  1.07D+00
 E= -767.457674471588     Delta-E=       -0.000000001328 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.457674471588     IErMin=10 ErrMin= 1.87D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-11 BMatP= 8.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.287D-05-0.162D-03 0.112D-03 0.278D-02 0.251D-02-0.102D-01
 Coeff-Com: -0.432D-01-0.278D-01 0.185D+00 0.891D+00
 Coeff:     -0.287D-05-0.162D-03 0.112D-03 0.278D-02 0.251D-02-0.102D-01
 Coeff:     -0.432D-01-0.278D-01 0.185D+00 0.891D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=9.34D-07 MaxDP=9.46D-05 DE=-1.33D-09 OVMax= 7.92D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.12D-07    CP:  1.48D+00  1.14D+00  1.17D+00  1.48D+00  1.25D+00
                    CP:  1.22D+00  1.33D+00  1.42D+00  1.12D+00  1.17D+00
 E= -767.457674471587     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 7.35D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -767.457674471588     IErMin=11 ErrMin= 7.35D-08
 ErrMax= 7.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-11 BMatP= 6.66D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-04-0.270D-03-0.137D-03 0.178D-02 0.387D-02 0.225D-02
 Coeff-Com: -0.197D-01-0.545D-01-0.104D-01 0.360D+00 0.717D+00
 Coeff:      0.104D-04-0.270D-03-0.137D-03 0.178D-02 0.387D-02 0.225D-02
 Coeff:     -0.197D-01-0.545D-01-0.104D-01 0.360D+00 0.717D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=2.15D-07 MaxDP=2.28D-05 DE= 4.55D-13 OVMax= 2.03D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.78D-08    CP:  1.48D+00  1.14D+00  1.17D+00  1.48D+00  1.24D+00
                    CP:  1.22D+00  1.33D+00  1.41D+00  1.13D+00  1.22D+00
                    CP:  1.04D+00
 E= -767.457674471777     Delta-E=       -0.000000000189 Rises=F Damp=F
 DIIS: error= 2.59D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.457674471777     IErMin=12 ErrMin= 2.59D-08
 ErrMax= 2.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-12 BMatP= 1.26D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.348D-05-0.629D-04-0.575D-04 0.183D-03 0.916D-03 0.209D-02
 Coeff-Com: -0.618D-03-0.124D-01-0.297D-01 0.422D-02 0.227D+00 0.809D+00
 Coeff:      0.348D-05-0.629D-04-0.575D-04 0.183D-03 0.916D-03 0.209D-02
 Coeff:     -0.618D-03-0.124D-01-0.297D-01 0.422D-02 0.227D+00 0.809D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=3.70D-08 MaxDP=2.34D-06 DE=-1.89D-10 OVMax= 9.56D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.39D-08    CP:  1.48D+00  1.14D+00  1.17D+00  1.48D+00  1.24D+00
                    CP:  1.22D+00  1.33D+00  1.41D+00  1.12D+00  1.22D+00
                    CP:  1.09D+00  1.06D+00
 E= -767.457674471754     Delta-E=        0.000000000023 Rises=F Damp=F
 DIIS: error= 1.29D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -767.457674471777     IErMin=13 ErrMin= 1.29D-08
 ErrMax= 1.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-13 BMatP= 1.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.205D-06 0.144D-04 0.232D-06-0.170D-03-0.176D-03 0.398D-03
 Coeff-Com:  0.208D-02 0.309D-02-0.933D-02-0.416D-01-0.286D-01 0.260D+00
 Coeff-Com:  0.815D+00
 Coeff:     -0.205D-06 0.144D-04 0.232D-06-0.170D-03-0.176D-03 0.398D-03
 Coeff:      0.208D-02 0.309D-02-0.933D-02-0.416D-01-0.286D-01 0.260D+00
 Coeff:      0.815D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=3.12D-08 MaxDP=3.25D-06 DE= 2.25D-11 OVMax= 4.65D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.47D-09    CP:  1.48D+00  1.14D+00  1.17D+00  1.48D+00  1.24D+00
                    CP:  1.22D+00  1.33D+00  1.40D+00  1.12D+00  1.21D+00
                    CP:  1.10D+00  1.11D+00  1.10D+00
 E= -767.457674471841     Delta-E=       -0.000000000087 Rises=F Damp=F
 DIIS: error= 6.12D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -767.457674471841     IErMin=14 ErrMin= 6.12D-09
 ErrMax= 6.12D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.06D-14 BMatP= 1.99D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.659D-06 0.156D-04 0.106D-04-0.951D-04-0.218D-03-0.217D-03
 Coeff-Com:  0.801D-03 0.330D-02 0.129D-02-0.145D-01-0.511D-01-0.471D-01
 Coeff-Com:  0.293D+00 0.815D+00
 Coeff:     -0.659D-06 0.156D-04 0.106D-04-0.951D-04-0.218D-03-0.217D-03
 Coeff:      0.801D-03 0.330D-02 0.129D-02-0.145D-01-0.511D-01-0.471D-01
 Coeff:      0.293D+00 0.815D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=1.31D-08 MaxDP=1.41D-06 DE=-8.66D-11 OVMax= 2.73D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.01D-09    CP:  1.48D+00  1.14D+00  1.17D+00  1.48D+00  1.24D+00
                    CP:  1.22D+00  1.33D+00  1.40D+00  1.12D+00  1.21D+00
                    CP:  1.09D+00  1.13D+00  1.22D+00  1.05D+00
 E= -767.457674471787     Delta-E=        0.000000000054 Rises=F Damp=F
 DIIS: error= 3.23D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -767.457674471841     IErMin=15 ErrMin= 3.23D-09
 ErrMax= 3.23D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-15 BMatP= 4.06D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.844D-07 0.286D-07 0.215D-05 0.147D-04-0.570D-05-0.121D-03
 Coeff-Com: -0.272D-03 0.274D-04 0.195D-02 0.621D-02-0.432D-02-0.620D-01
 Coeff-Com: -0.999D-01 0.137D+00 0.102D+01
 Coeff:     -0.844D-07 0.286D-07 0.215D-05 0.147D-04-0.570D-05-0.121D-03
 Coeff:     -0.272D-03 0.274D-04 0.195D-02 0.621D-02-0.432D-02-0.620D-01
 Coeff:     -0.999D-01 0.137D+00 0.102D+01
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=3.14D-09 MaxDP=2.47D-07 DE= 5.37D-11 OVMax= 1.53D-07

 SCF Done:  E(RwB97XD) =  -767.457674472     A.U. after   15 cycles
            NFock= 15  Conv=0.31D-08     -V/T= 2.0058
 KE= 7.630521649020D+02 PE=-4.060249694448D+03 EE= 1.393352903850D+03
 Leave Link  502 at Tue Aug 17 18:26:04 2021, MaxMem=  5368709120 cpu:            6244.1 elap:             782.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.11286636D+03

 Leave Link  801 at Tue Aug 17 18:26:04 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 4.88D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.23D-01 1.05D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 6.04D-02 1.04D-01.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 7.10D-03 3.41D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 1.70D-03 1.42D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 2.56D-04 4.60D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 1.51D-05 1.10D-03.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 6.87D-07 1.20D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 2.75D-08 1.79D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 9.66D-10 4.21D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 2.94D-11 8.34D-07.
      8 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 1.15D-12 1.66D-07.
      6 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 9.00D-14 2.64D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.298384D+03
      2  0.839566D+01  0.175451D+03
      3  0.154082D+02  0.854767D+01  0.121091D+03
 Isotropic polarizability for W=    0.088559      198.31 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.275712D+03 -0.550967D+02  0.682123D+02
      2  -0.117517D+03  0.562691D+02 -0.170068D+02
      3  -0.158195D+03 -0.117239D+01 -0.512055D+02
      4  -0.493273D+02  0.126666D+03  0.499927D+02
      5  -0.156013D+01  0.530147D+02 -0.342763D+02
      6   0.197306D+02 -0.538160D+02 -0.208812D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.152676D+01 -0.301141D+02 -0.118117D+01
      2   0.647450D+02  0.199648D+02 -0.131019D+02
      3   0.422420D+02 -0.591166D+02 -0.170593D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.302201D+01 -0.368092D+02  0.915727D+00
      2   0.697725D+02  0.302621D+02  0.123918D+03
      3   0.576936D+01 -0.244183D+03 -0.332841D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.220827D+01 -0.453734D+01 -0.942958D+01
      2  -0.453734D+01 -0.200731D+00  0.302159D+01
      3  -0.942958D+01  0.302159D+01  0.242476D+01
 OR G Eigenvalues:    -7.3294    -2.0304    13.7921  Iso=    -1.4774
 Eigenvectors:
   (1)   0.734640   0.191743   0.650798
   (2)   0.108024   0.913939  -0.391212
   (3)   0.669802  -0.357702  -0.650703
 w=    0.088559 a.u., Optical Rotation Beta=     -1.4774 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -325.36 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 2.81D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.41D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 4.28D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 3.67D-02 4.84D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 6.11D-03 1.76D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 9.19D-05 1.46D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 4.11D-06 2.43D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 8.43D-08 2.74D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 1.36D-09 4.22D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 1.69D-11 4.87D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 2.29D-13 3.94D-08.
     12 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 1.93D-14 1.19D-08.
      3 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 8.23D-15 6.23D-09.
      1 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 2.63D-15 3.63D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   286 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.62D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.62D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.298384D+03  0.839566D+01  0.154082D+02
      2   0.839566D+01  0.175451D+03  0.854767D+01
      3   0.154082D+02  0.854767D+01  0.121091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.152676D+01 -0.301141D+02 -0.118117D+01
      2   0.647450D+02  0.199648D+02 -0.131019D+02
      3   0.422420D+02 -0.591166D+02 -0.170593D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.275712D+03 -0.550967D+02  0.682123D+02
      2  -0.117517D+03  0.562691D+02 -0.170068D+02
      3  -0.158195D+03 -0.117239D+01 -0.512055D+02
      4  -0.493273D+02  0.126666D+03  0.499927D+02
      5  -0.156013D+01  0.530147D+02 -0.342763D+02
      6   0.197306D+02 -0.538160D+02 -0.208812D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.347079D+02 -0.356106D+01 -0.310575D+01  0.423219D+02  0.934534D+01
      2  -0.356106D+01 -0.963563D+00 -0.953002D+00  0.934534D+01  0.902284D+01
      3  -0.310575D+01 -0.953002D+00 -0.157618D+00  0.604946D+01  0.241556D+01
                 6             7             8             9            10 
      1   0.604946D+01  0.418088D+01  0.125611D+01 -0.353618D+00  0.386433D+02
      2   0.241556D+01  0.125611D+01  0.106072D+01  0.157848D+01  0.455464D+01
      3   0.429990D+00 -0.353618D+00  0.157848D+01  0.415769D+00  0.369114D+01
                11            12            13            14            15 
      1   0.455464D+01  0.369114D+01 -0.424404D+02 -0.866302D+01 -0.610853D+01
      2   0.429128D+01  0.105620D+01 -0.866302D+01 -0.763697D+01 -0.251356D+01
      3   0.105620D+01 -0.190337D-01 -0.610853D+01 -0.251356D+01 -0.489442D+00
                16            17            18            19            20 
      1  -0.281316D+01 -0.979874D+00  0.675181D+00  0.378563D+02  0.553924D+01
      2  -0.979874D+00 -0.335669D+00 -0.142824D+01  0.553924D+01  0.421816D+01
      3   0.675181D+00 -0.142824D+01 -0.387492D+00  0.324693D+01  0.950154D+00
                21            22            23            24            25 
      1   0.324693D+01  0.209253D+02  0.213317D+01  0.633679D+00  0.899179D+01
      2   0.950154D+00  0.213317D+01  0.466263D+01  0.271899D+00  0.169386D+00
      3   0.391754D+00  0.633679D+00  0.271899D+00  0.211777D+01 -0.853755D+00
                26            27            28            29            30 
      1   0.169386D+00 -0.853755D+00 -0.457449D+02 -0.481956D+01 -0.104353D+01
      2  -0.151829D-01  0.343820D+01 -0.481956D+01 -0.294104D+01 -0.347642D+00
      3   0.343820D+01  0.107697D+01 -0.104353D+01 -0.347642D+00 -0.202442D+01
                31            32            33            34            35 
      1  -0.111499D+02 -0.359805D+00  0.613991D+00 -0.592395D+01  0.488522D+00
      2  -0.359805D+00 -0.878489D+01 -0.223241D+01  0.488522D+00 -0.224620D+01
      3   0.613991D+00 -0.223241D+01 -0.564386D+00 -0.567024D+01 -0.126611D+01
                36            37            38            39            40 
      1  -0.567024D+01 -0.755734D+01  0.493967D-01 -0.456263D+00 -0.762797D+01
      2  -0.126611D+01  0.493967D-01 -0.961271D+01 -0.157792D+01 -0.224571D+01
      3  -0.180591D+01 -0.456263D+00 -0.157792D+01 -0.249790D+01  0.457891D+00
                41            42            43            44            45 
      1  -0.224571D+01  0.457891D+00 -0.166281D+01  0.103223D+01 -0.423831D+01
      2   0.310783D+01  0.135498D+01  0.103223D+01  0.136169D+00 -0.249370D+01
      3   0.135498D+01 -0.623559D+00 -0.423831D+01 -0.249370D+01 -0.299860D+01
                46            47            48            49            50 
      1   0.121471D+02  0.173735D+01  0.188991D+01 -0.202711D+00 -0.103860D+01
      2   0.173735D+01  0.669882D+01  0.233071D+01 -0.103860D+01 -0.659033D+00
      3   0.188991D+01  0.233071D+01  0.286104D+01 -0.143070D+00  0.891741D+00
                51            52            53            54            55 
      1  -0.143070D+00  0.127768D+01  0.356156D+00  0.169572D+01 -0.137709D+02
      2   0.891741D+00  0.356156D+00  0.221265D+01 -0.346606D+01 -0.389950D+01
      3  -0.123906D+01  0.169572D+01 -0.346606D+01 -0.129760D+01 -0.205941D+01
                56            57            58            59            60 
      1  -0.389950D+01 -0.205941D+01 -0.179710D+01  0.605440D+00 -0.218162D+00
      2  -0.997623D+01 -0.199415D+01  0.605440D+00 -0.303212D-02 -0.865052D+00
      3  -0.199415D+01 -0.277417D+01 -0.218162D+00 -0.865052D+00  0.139955D+01
                61            62            63            64            65 
      1  -0.179290D+01 -0.571064D+00 -0.178198D+01 -0.256819D+01  0.240258D+01
      2  -0.571064D+00 -0.270313D+01  0.344797D+01  0.240258D+01 -0.135106D+01
      3  -0.178198D+01  0.344797D+01  0.757096D+00 -0.339143D+00  0.214820D+00
                66            67            68            69            70 
      1  -0.339143D+00  0.319567D+01 -0.306109D+01 -0.653845D-01 -0.473584D+00
      2   0.214820D+00 -0.306109D+01  0.598350D+01  0.273432D+00 -0.646729D-01
      3  -0.203816D+00 -0.653845D-01  0.273432D+00  0.654498D+00 -0.228381D-01
                71            72            73            74            75 
      1  -0.646729D-01 -0.228381D-01 -0.497249D+01 -0.299465D+01 -0.114749D+01
      2   0.789150D+00  0.144914D+00 -0.299465D+01 -0.303173D+01 -0.905973D+00
      3   0.144914D+00  0.836910D-02 -0.114749D+01 -0.905973D+00 -0.691788D+00
                76            77            78            79            80 
      1  -0.346789D+01 -0.413566D+01 -0.123799D+01 -0.149348D+01 -0.122558D+01
      2  -0.413566D+01 -0.602348D+01 -0.155823D+01 -0.122558D+01 -0.135704D+01
      3  -0.123799D+01 -0.155823D+01 -0.113431D+01  0.844473D-01 -0.611006D+00
                81            82            83            84            85 
      1   0.844473D-01  0.141989D+01 -0.177900D+01 -0.202763D+00 -0.927170D+00
      2  -0.611006D+00 -0.177900D+01  0.278247D+01  0.317327D+00  0.208389D+01
      3  -0.265933D+00 -0.202763D+00  0.317327D+00  0.261206D+00  0.433150D+00
                86            87            88            89            90 
      1   0.208389D+01  0.433150D+00 -0.589492D-01  0.151517D+00 -0.596826D-01
      2  -0.936423D+01 -0.144821D+01  0.151517D+00 -0.143989D+01 -0.355333D+00
      3  -0.144821D+01 -0.103394D+01 -0.596826D-01 -0.355333D+00 -0.218071D+00
                91            92            93            94            95 
      1   0.200437D+02  0.321683D+01 -0.170880D+01  0.264233D+01  0.284027D+01
      2   0.321683D+01  0.173633D+01 -0.787810D+00  0.284027D+01 -0.135731D+01
      3  -0.170880D+01 -0.787810D+00  0.285202D+01 -0.322940D+00  0.304971D+01
                96            97            98            99           100 
      1  -0.322940D+00 -0.724713D+01 -0.139053D+01  0.568964D+01  0.738276D+01
      2   0.304971D+01 -0.139053D+01  0.179335D+01  0.224461D+01 -0.505829D+00
      3   0.112869D+01  0.568964D+01  0.224461D+01 -0.429483D+00  0.179745D+01
               101           102           103           104           105 
      1  -0.505829D+00  0.179745D+01  0.277907D+01 -0.254718D+01  0.110229D+01
      2  -0.228605D+01  0.133344D+01 -0.254718D+01  0.160042D+01 -0.302381D+01
      3   0.133344D+01 -0.327189D+01  0.110229D+01 -0.302381D+01 -0.176379D+01
               106           107           108           109           110 
      1   0.202259D+01  0.119103D+01 -0.210506D+01  0.343898D+01  0.187693D+01
      2   0.119103D+01 -0.204964D+01 -0.301821D+01  0.187693D+01  0.647115D+00
      3  -0.210506D+01 -0.301821D+01  0.279044D+01 -0.104350D-02 -0.323554D+00
               111           112           113           114           115 
      1  -0.104350D-02  0.136763D+01 -0.589298D+00  0.308100D+00  0.122875D+02
      2  -0.323554D+00 -0.589298D+00  0.118777D+00 -0.155613D+00  0.133551D+01
      3  -0.127483D+01  0.308100D+00 -0.155613D+00 -0.709917D+00 -0.521596D+01
               116           117           118           119           120 
      1   0.133551D+01 -0.521596D+01 -0.281862D+01 -0.156891D+01 -0.143073D+01
      2   0.786291D+00 -0.694584D+00 -0.156891D+01 -0.986820D+00 -0.406807D+00
      3  -0.694584D+00  0.256979D+00 -0.143073D+01 -0.406807D+00 -0.151283D+01
               121           122           123           124           125 
      1  -0.532817D+01 -0.185089D+01 -0.104705D+01 -0.234060D+01 -0.510271D+00
      2  -0.185089D+01 -0.248866D+01 -0.200360D+01 -0.510271D+00 -0.200139D+01
      3  -0.104705D+01 -0.200360D+01 -0.196062D+01 -0.235042D+01 -0.177440D+01
               126           127           128           129           130 
      1  -0.235042D+01  0.766654D+00  0.236706D+00 -0.109182D+01 -0.239428D+00
      2  -0.177440D+01  0.236706D+00  0.116671D+01 -0.108864D+01  0.233541D+00
      3  -0.363287D+01 -0.109182D+01 -0.108864D+01  0.243524D+01 -0.157662D+00
               131           132           133           134           135 
      1   0.233541D+00 -0.157662D+00 -0.178108D+01  0.259648D+00  0.259910D+00
      2   0.140199D+01 -0.118781D+01  0.259648D+00 -0.204872D+01  0.276733D+01
      3  -0.118781D+01  0.175488D+01  0.259910D+00  0.276733D+01 -0.685497D+01
               136           137           138           139           140 
      1   0.286497D+00  0.276157D+00  0.547833D+00  0.132161D+01 -0.566972D+00
      2   0.276157D+00  0.673752D+00 -0.106620D+00 -0.566972D+00  0.407981D+01
      3   0.547833D+00 -0.106620D+00  0.635187D+00 -0.826060D-01  0.155955D+01
               141           142           143           144           145 
      1  -0.826060D-01  0.167275D+01 -0.905222D+00  0.191132D+00 -0.127644D+02
      2   0.155955D+01 -0.905222D+00  0.292926D+01  0.163070D+01  0.250796D+01
      3   0.178341D+01  0.191132D+00  0.163070D+01  0.196412D+01 -0.228652D+01
               146           147           148           149           150 
      1   0.250796D+01 -0.228652D+01  0.776671D+00 -0.957906D+00 -0.391097D-01
      2  -0.154543D+01  0.600807D+00 -0.957906D+00  0.144070D+00  0.524067D-01
      3   0.600807D+00 -0.151024D+01 -0.391097D-01  0.524067D-01  0.447188D-01
               151           152           153           154           155 
      1  -0.148255D+01  0.147218D+00 -0.128211D+01 -0.183248D+02 -0.369067D+01
      2   0.147218D+00  0.436611D-01  0.509601D+00 -0.369067D+01 -0.252140D+01
      3  -0.128211D+01  0.509601D+00 -0.937487D+00  0.119918D+01  0.753298D+00
               156           157           158           159           160 
      1   0.119918D+01 -0.458044D+01 -0.459692D+01  0.229421D+00  0.185712D+01
      2   0.753298D+00 -0.459692D+01 -0.290685D+01  0.473074D+00  0.556659D+00
      3  -0.267107D+01  0.229421D+00  0.473074D+00 -0.520393D+00 -0.274274D+01
               161           162           163           164           165 
      1   0.556659D+00 -0.274274D+01 -0.123527D+02 -0.158755D+01  0.453415D+01
      2  -0.277506D+00 -0.870631D+00 -0.158755D+01  0.312300D+00  0.639458D-02
      3  -0.870631D+00  0.277660D+00  0.453415D+01  0.639458D-02 -0.857885D+00
               166           167           168           169           170 
      1  -0.359809D+01  0.327980D-01  0.746456D+00  0.332569D+00 -0.492314D+00
      2   0.327980D-01  0.232640D+00  0.127891D+01 -0.492314D+00  0.544977D+00
      3   0.746456D+00  0.127891D+01 -0.217878D+00 -0.101649D+00 -0.341407D+00
               171           172           173           174           175 
      1  -0.101649D+00  0.105875D+02  0.929633D+00 -0.249556D+01  0.294233D+01
      2  -0.341407D+00  0.929633D+00  0.142292D+00 -0.176507D+00  0.214535D-01
      3   0.663062D+01 -0.249556D+01 -0.176507D+00  0.283993D+01 -0.888683D+00
               176           177           178           179           180 
      1   0.214535D-01 -0.888683D+00 -0.478858D+01 -0.383143D+00  0.195453D+01
      2   0.114610D+00  0.578287D+00 -0.383143D+00  0.104115D+01  0.326385D+00
      3   0.578287D+00  0.908166D+00  0.195453D+01  0.326385D+00  0.421844D+00
               181           182           183           184           185 
      1   0.121894D+02  0.123121D+01  0.784710D+00  0.691427D+01  0.112510D+01
      2   0.123121D+01  0.111519D+02  0.852971D+00  0.112510D+01 -0.470803D+01
      3   0.784710D+00  0.852971D+00  0.249063D+01 -0.128448D+00 -0.126765D+01
               186           187           188           189           190 
      1  -0.128448D+00  0.144956D+01 -0.938777D+00  0.484597D+01  0.342303D+02
      2  -0.126765D+01 -0.938777D+00 -0.659433D+00  0.303431D+01  0.252462D+01
      3   0.106256D+01  0.484597D+01  0.303431D+01  0.272466D+01  0.264895D+01
               191           192           193           194           195 
      1   0.252462D+01  0.264895D+01  0.163243D+02  0.190815D+00  0.312755D+00
      2   0.592293D+01  0.547712D+00  0.190815D+00  0.131557D+02  0.152432D+01
      3   0.547712D+00  0.411818D+01  0.312755D+00  0.152432D+01  0.616868D+00
               196           197           198           199           200 
      1   0.533377D+01 -0.963075D+00  0.693333D+01 -0.364852D+02 -0.507192D+01
      2  -0.963075D+00  0.271966D+01  0.116102D+01 -0.507192D+01 -0.750141D+01
      3   0.693333D+01  0.116102D+01  0.229841D+01 -0.408909D+01 -0.989582D+00
               201           202           203           204           205 
      1  -0.408909D+01 -0.196868D+02 -0.331383D+00 -0.178696D+01 -0.801554D+01
      2  -0.989582D+00 -0.331383D+00 -0.595579D+01  0.179765D+00 -0.286643D+00
      3  -0.357540D+00 -0.178696D+01  0.179765D+00 -0.270551D+01 -0.481310D+00
               206           207           208           209           210 
      1  -0.286643D+00 -0.481310D+00 -0.597595D+01  0.102444D+01 -0.551487D+00
      2  -0.672086D+00 -0.366360D+01  0.102444D+01 -0.227875D+01 -0.327345D+00
      3  -0.366360D+01 -0.180263D+01 -0.551487D+00 -0.327345D+00 -0.732677D+00
               211           212           213           214           215 
      1   0.139046D+01  0.159320D+01  0.611520D+00 -0.432407D+00  0.297470D+00
      2   0.159320D+01  0.193787D+01  0.650358D+00  0.297470D+00 -0.686100D-01
      3   0.611520D+00  0.650358D+00 -0.839574D+00  0.335567D+00  0.434209D+00
               216           217           218           219           220 
      1   0.335567D+00 -0.164964D+01 -0.207380D+01 -0.693411D+00 -0.372691D+01
      2   0.434209D+00 -0.207380D+01  0.307888D+01 -0.502932D+00  0.597004D-01
      3  -0.127490D-01 -0.693411D+00 -0.502932D+00  0.151035D+01 -0.101926D+01
               221           222           223           224           225 
      1   0.597004D-01 -0.101926D+01 -0.639029D+00 -0.572931D+00 -0.136218D+01
      2  -0.644387D+00 -0.182872D+01 -0.572931D+00 -0.118865D+01  0.360383D+01
      3  -0.182872D+01  0.518203D+01 -0.136218D+01  0.360383D+01  0.240002D+01
               226           227           228           229           230 
      1  -0.106413D+01  0.150341D+01  0.122433D+00  0.509974D+00 -0.150974D+01
      2   0.150341D+01 -0.288742D+01 -0.268069D+00 -0.150974D+01  0.940496D+01
      3   0.122433D+00 -0.268069D+00 -0.244530D+00 -0.320569D+00  0.119891D+01
               231           232           233           234           235 
      1  -0.320569D+00 -0.750348D-01 -0.164667D+00  0.190407D+00  0.577500D+01
      2   0.119891D+01 -0.164667D+00  0.130990D+01  0.334443D+00  0.399876D+01
      3   0.955364D+00  0.190407D+00  0.334443D+00  0.231785D+00  0.132884D+01
               236           237           238           239           240 
      1   0.399876D+01  0.132884D+01  0.458806D+01  0.494653D+01  0.135621D+01
      2   0.375183D+01  0.981728D+00  0.494653D+01  0.648610D+01  0.152419D+01
      3   0.981728D+00  0.846507D+00  0.135621D+01  0.152419D+01  0.115748D+01
               241           242           243           244           245 
      1   0.164575D+01  0.142715D+01 -0.191800D-01  0.146507D+01 -0.221769D+01
      2   0.142715D+01  0.155942D+01  0.550986D+00 -0.221769D+01  0.140470D+01
      3  -0.191800D-01  0.550986D+00  0.261505D+00 -0.245661D+00 -0.282315D-01
               246           247           248           249           250 
      1  -0.245661D+00 -0.352539D+01  0.319044D+01  0.270193D+00 -0.491993D+00
      2  -0.282315D-01  0.319044D+01 -0.591542D+01 -0.668200D+00  0.292375D+00
      3   0.809676D-01  0.270193D+00 -0.668200D+00 -0.614800D+00  0.365036D-01
               251           252           253           254           255 
      1   0.292375D+00  0.365036D-01  0.155386D+02 -0.477813D+00  0.142194D+01
      2  -0.966271D+00  0.447706D-02 -0.477813D+00  0.934440D+00 -0.459922D-01
      3   0.447706D-02 -0.543381D-01  0.142194D+01 -0.459922D-01  0.128357D+01
               256           257           258           259           260 
      1   0.206108D+01  0.106514D+01  0.174327D+00  0.195405D+01 -0.748155D-01
      2   0.106514D+01  0.386943D+00  0.259858D+00 -0.748155D-01  0.309392D+00
      3   0.174327D+00  0.259858D+00  0.432925D-01  0.163144D+01 -0.338098D+00
               261           262           263           264           265 
      1   0.163144D+01  0.131564D+00  0.229280D+00 -0.779007D+00 -0.536918D+00
      2  -0.338098D+00  0.229280D+00 -0.166336D+00  0.227103D+00  0.127060D+01
      3   0.374164D+00 -0.779007D+00  0.227103D+00 -0.544578D+00  0.106303D+01
               266           267           268           269           270 
      1   0.127060D+01  0.106303D+01 -0.411494D+01  0.191810D+01  0.266882D+01
      2  -0.161369D+01 -0.134823D+01  0.191810D+01 -0.179786D+01 -0.220533D+01
      3  -0.134823D+01 -0.208576D+01  0.266882D+01 -0.220533D+01 -0.573184D+01
               271           272           273           274           275 
      1  -0.114552D+01  0.408822D+00  0.514031D+00 -0.122534D+01  0.171674D+01
      2   0.408822D+00 -0.863949D+00  0.658110D+00  0.171674D+01 -0.377894D+01
      3   0.514031D+00  0.658110D+00 -0.125976D+01 -0.796033D+00  0.256417D+01
               276           277           278           279 
      1  -0.796033D+00  0.262169D+01 -0.135552D+01  0.144842D+01
      2   0.256417D+01 -0.135552D+01  0.259153D+01 -0.268475D+01
      3  -0.273633D+01  0.144842D+01 -0.268475D+01  0.353954D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.392575D+01 -0.342013D+01  0.737555D+00 -0.755971D+01 -0.663353D+01
      2  -0.799085D+01 -0.389872D+01 -0.158713D+01  0.113983D+02  0.281164D+00
      3  -0.287044D+02  0.224500D+02  0.688114D+00  0.376273D+02  0.193610D+02
                 6             7             8             9            10 
      1  -0.177910D+01  0.351574D+01  0.613579D+01  0.125119D+01 -0.118303D+01
      2  -0.754689D+00 -0.175521D+02 -0.275615D+01 -0.273580D+01  0.203417D+02
      3   0.608147D+01  0.183626D+01  0.720603D+01 -0.241571D+00 -0.214868D+01
                11            12            13            14            15 
      1  -0.592747D+01 -0.815253D+00 -0.457758D+01 -0.215317D+01  0.483794D+00
      2  -0.101708D+01 -0.450251D+01 -0.179582D+02 -0.564096D+01 -0.254117D+01
      3   0.281834D+02  0.301847D+01  0.441507D+02  0.247926D+02  0.867787D+01
                16            17            18            19            20 
      1   0.358446D+01  0.704293D+01  0.229761D+01 -0.535549D+01  0.711615D+00
      2  -0.218461D+02 -0.356661D+01 -0.313080D+01  0.147643D+02  0.642875D+01
      3   0.491263D+01  0.867437D+01  0.274149D+01  0.310222D+02 -0.183874D+02
                21            22            23            24            25 
      1  -0.717753D+00 -0.734715D+00 -0.333259D+01 -0.287807D+01  0.700629D+01
      2   0.106872D+01  0.134353D+02  0.221774D+01 -0.103592D+01 -0.149098D+02
      3   0.587114D+00  0.994535D+01  0.212162D+01  0.423614D+00 -0.339124D+00
                26            27            28            29            30 
      1   0.256380D+01 -0.220941D+01 -0.829648D-01 -0.118317D+01 -0.300901D+00
      2  -0.660377D+01 -0.288194D+01 -0.258331D+02 -0.433613D+01  0.642039D+00
      3  -0.397836D+01  0.203601D+01 -0.567903D+01  0.621043D+01  0.964585D+00
                31            32            33            34            35 
      1  -0.602511D+01  0.294535D+01  0.316812D+01 -0.210828D+01  0.140166D+02
      2  -0.626777D+01  0.201585D+01  0.466694D+00 -0.148788D+02 -0.219158D+00
      3   0.215053D+02 -0.397306D+01 -0.419988D+01  0.151320D+01  0.229952D+00
                36            37            38            39            40 
      1   0.359136D+01 -0.124150D+01  0.539080D+01 -0.420118D+01  0.422269D+01
      2  -0.721076D+00 -0.187731D+01  0.305817D+00  0.195067D+01 -0.424720D+01
      3  -0.195718D+01  0.200198D+02 -0.412022D+01 -0.119501D+01  0.221144D+01
                41            42            43            44            45 
      1  -0.366155D+01 -0.224917D+01 -0.148375D+02  0.455910D+01 -0.110558D+01
      2  -0.456211D+01  0.100562D+01 -0.109916D+02  0.668121D+01 -0.501053D+00
      3   0.822231D+01  0.359296D+01 -0.283714D+00  0.237464D+01  0.540269D+01
                46            47            48            49            50 
      1   0.235418D+01 -0.767287D+00  0.465536D+01  0.790354D+00  0.414991D+01
      2   0.826983D+01  0.290939D+01  0.206856D+01  0.296000D+01  0.285284D+01
      3  -0.328453D+02 -0.239228D+02 -0.495174D+01 -0.792883D+01 -0.213273D+02
                51            52            53            54            55 
      1  -0.298120D+01  0.102923D+02 -0.227071D+01  0.270988D+01  0.226985D+01
      2   0.136093D+01 -0.156566D+02  0.303960D+00  0.240248D+00  0.449758D+01
      3  -0.381565D+01 -0.735233D+01 -0.590290D+01 -0.726186D+01 -0.251237D+02
                56            57            58            59            60 
      1   0.366786D+01  0.711524D+01 -0.129938D+01  0.373605D+01 -0.284363D+01
      2   0.400273D+00 -0.532406D+01  0.362097D+01  0.248637D+01  0.378781D+01
      3  -0.107279D+02 -0.273251D+01 -0.275671D+00 -0.214798D+02 -0.921603D+00
                61            62            63            64            65 
      1   0.953195D+01 -0.172405D+01  0.144088D+01  0.680705D+00 -0.863061D+00
      2  -0.211566D+02  0.464206D+01  0.248148D+00  0.116465D+01  0.661893D-01
      3  -0.433587D+01 -0.236493D+01 -0.133062D+02 -0.450303D+01  0.204313D+01
                66            67            68            69            70 
      1   0.116472D+01  0.230146D+00 -0.147314D+01 -0.345914D+01  0.544498D+00
      2   0.319584D+00  0.486744D+00 -0.101182D+01 -0.154192D+01 -0.213316D+01
      3  -0.929439D+00  0.596714D+01  0.367189D+01  0.864368D+00 -0.682723D+00
                71            72            73            74            75 
      1   0.165861D+01  0.175618D+00  0.311996D+00  0.121280D+01 -0.195678D+01
      2   0.776781D+00 -0.834541D-02 -0.341860D+01 -0.125141D+01  0.115228D+01
      3   0.109552D+01 -0.923696D+00  0.724322D+01  0.450596D-01  0.721253D+00
                76            77            78            79            80 
      1   0.124837D+01  0.257022D+01 -0.277666D+01  0.298797D+01  0.206290D+01
      2  -0.165132D+01 -0.125871D+01  0.196494D+01 -0.312405D+01 -0.387770D+00
      3   0.206101D+01 -0.235648D+01 -0.806554D-02  0.155179D+01 -0.328904D+00
                81            82            83            84            85 
      1   0.130371D+00  0.131812D+01 -0.175857D+01  0.133627D+01 -0.575821D+00
      2   0.722643D+00  0.148303D+01 -0.123004D+01  0.776334D+00 -0.112892D+01
      3  -0.936198D+00 -0.582352D+01  0.258891D+01  0.152852D+00  0.554672D+01
                86            87            88            89            90 
      1   0.380215D+01 -0.380689D+01 -0.132708D+01  0.270053D+01 -0.438208D+00
      2   0.183343D+01 -0.932392D+00 -0.664646D+00 -0.575089D+00 -0.455284D+00
      3  -0.344833D+01 -0.101066D+01 -0.272374D+00 -0.836880D+00  0.871298D+00
                91            92            93            94            95 
      1  -0.853845D+00 -0.158712D+01  0.426070D+00  0.134343D+01  0.481137D+00
      2   0.197476D+02  0.391388D+01 -0.939722D+01  0.313683D+01 -0.732561D+01
      3   0.522618D+01  0.320812D+00 -0.121778D+01  0.180184D+02 -0.718496D+01
                96            97            98            99           100 
      1  -0.288213D+01  0.144197D+00  0.369471D+01 -0.374372D+01 -0.204386D+01
      2  -0.377061D+01 -0.367807D+02 -0.846759D+01  0.444310D+01  0.203290D+01
      3   0.119927D+02 -0.282133D+01  0.107420D+02  0.813218D+01  0.150264D+02
               101           102           103           104           105 
      1   0.300737D+01  0.245767D+01  0.105395D+01  0.300653D+01  0.626532D+01
      2  -0.493234D+01  0.160692D+02 -0.167943D+01  0.792004D+01  0.838519D+01
      3  -0.165071D+02  0.870518D+01 -0.101306D+02  0.496483D+00 -0.126177D+02
               106           107           108           109           110 
      1  -0.748318D+00  0.101992D+02 -0.153236D+00  0.478264D+01  0.173895D+01
      2   0.737910D+01  0.125830D+02 -0.125000D+02 -0.197436D+02 -0.429002D+01
      3   0.660280D+01 -0.821117D+01 -0.164505D+02 -0.201387D+01  0.137630D+02
               111           112           113           114           115 
      1   0.524366D+01  0.112690D+02  0.546903D+01 -0.156665D+02  0.361602D+01
      2   0.319521D+01 -0.173968D+01 -0.861988D+00 -0.351617D+01  0.194754D+02
      3   0.118806D+01  0.124420D+02  0.107503D+02 -0.230874D+01  0.455084D+01
               116           117           118           119           120 
      1  -0.387321D+01 -0.239887D+01  0.571227D+00  0.122353D+01  0.211419D+00
      2  -0.139023D+00 -0.704379D+00  0.326824D+01  0.543470D+00  0.553619D+01
      3  -0.300355D+01 -0.225088D+01 -0.675623D+01 -0.569588D+01 -0.165030D+01
               121           122           123           124           125 
      1   0.275317D+00  0.221589D+01  0.228892D+00 -0.525033D-04  0.274416D+01
      2  -0.101028D+01  0.515819D+01  0.642117D+01  0.482857D+01  0.532403D+01
      3  -0.265224D+01 -0.872953D+01 -0.712456D+01 -0.122409D+01 -0.830582D+01
               126           127           128           129           130 
      1   0.802941D+00  0.891200D+00 -0.146194D+01 -0.228876D+01 -0.208033D+00
      2   0.996001D+01  0.699490D+01  0.358264D+01 -0.917052D+01  0.745089D+00
      3  -0.692055D+01  0.363588D+01  0.523699D+01 -0.615179D+01  0.328011D+01
               131           132           133           134           135 
      1  -0.429801D+00 -0.247520D+01 -0.146211D+01  0.133127D+01  0.617373D+01
      2   0.454370D+01 -0.661954D+01 -0.594569D+01 -0.939805D+01  0.243073D+02
      3   0.568665D+01 -0.529563D+01 -0.306001D+01 -0.736827D+01  0.127772D+02
               136           137           138           139           140 
      1  -0.205354D+01 -0.737621D+00 -0.164827D+01  0.144278D-01 -0.722669D+01
      2  -0.272401D+01  0.818362D+00 -0.170808D+01  0.870520D+00 -0.627895D+01
      3   0.527144D+01  0.333094D+01  0.154675D+01  0.282000D+01  0.167733D+02
               141           142           143           144           145 
      1  -0.722522D+01 -0.143729D+00 -0.486929D+01 -0.706599D+01  0.523621D+00
      2  -0.657767D+01 -0.143848D+01 -0.641855D+01 -0.710578D+01 -0.638968D+01
      3   0.724310D+01  0.170106D+01  0.116018D+02  0.865768D+01 -0.850127D+01
               146           147           148           149           150 
      1   0.169453D+01  0.185602D+01  0.100311D+01 -0.224750D+00 -0.118702D+01
      2   0.112855D+00  0.600421D+01  0.642771D+00 -0.167716D+01 -0.284591D+00
      3  -0.642360D+01 -0.497697D+00 -0.141774D+01 -0.344504D+00  0.130765D+01
               151           152           153           154           155 
      1   0.119288D+01 -0.274877D+00  0.322016D+00 -0.345820D+01 -0.151470D+01
      2   0.255564D+01 -0.160590D+01  0.245632D+01  0.913768D+01  0.341338D+00
      3  -0.142183D+01  0.770940D+00  0.600067D+00 -0.567588D+01 -0.241920D+02
               156           157           158           159           160 
      1  -0.540354D+01 -0.813500D+01 -0.340944D+01  0.174407D+00 -0.286054D+01
      2   0.214291D+02 -0.194551D+01  0.123812D+01  0.599343D+01  0.778352D+01
      3   0.105583D+01 -0.164148D+02 -0.150422D+02  0.157360D+01  0.374139D+00
               161           162           163           164           165 
      1   0.258543D+01  0.346009D+00 -0.585104D+01 -0.235487D+01  0.620810D+00
      2   0.389410D+01 -0.135561D+01  0.867538D+01  0.383214D+01  0.794979D+00
      3   0.212077D+01 -0.217324D+01 -0.551526D+01 -0.325937D+01 -0.210211D+00
               166           167           168           169           170 
      1  -0.525672D+01 -0.544145D+00  0.458056D+01  0.168276D+01  0.751742D+01
      2   0.389595D+01 -0.526979D+01  0.129390D+01 -0.999090D+01  0.921683D+00
      3   0.112111D+01 -0.167503D+00  0.595492D+01 -0.180338D+01  0.254017D+01
               171           172           173           174           175 
      1   0.299924D+01  0.686543D+01  0.226651D+01 -0.144678D+01  0.629664D+01
      2  -0.220426D+02 -0.201984D+02 -0.250855D+01 -0.539253D+01 -0.446918D+01
      3  -0.589314D+00  0.315217D+01  0.175323D+01 -0.108632D+01  0.519780D+01
               176           177           178           179           180 
      1   0.827866D+00 -0.272964D+01 -0.149619D+01 -0.112649D+01  0.657594D+00
      2  -0.241038D+01 -0.163855D+01 -0.435354D+00  0.355715D+00 -0.181920D+01
      3   0.189037D+00  0.428692D+00 -0.160491D+01 -0.850213D+00  0.597048D+00
               181           182           183           184           185 
      1  -0.284586D+00 -0.120751D+01 -0.671276D+01  0.350317D+01 -0.241210D+01
      2  -0.138067D+01  0.111853D+01  0.751097D+01  0.261999D+01 -0.782313D+01
      3   0.225458D+02 -0.145357D+02  0.254651D+00 -0.477722D+01  0.258767D+02
               186           187           188           189           190 
      1  -0.185598D+01 -0.156769D+02  0.476767D+01 -0.318136D+01 -0.174921D+01
      2   0.207548D+01  0.355006D+00  0.105871D+02  0.485685D+01  0.951902D+01
      3   0.459909D+01 -0.255114D+00  0.518662D+01  0.219642D+01  0.890130D+01
               191           192           193           194           195 
      1  -0.596313D+01 -0.158680D+01 -0.673460D+01 -0.465080D+01  0.330212D+01
      2  -0.336531D+01  0.295126D+01 -0.251270D+01  0.509124D+01  0.131907D+01
      3   0.188918D+02  0.482277D+01  0.460739D+02 -0.227911D+02  0.152989D+01
               196           197           198           199           200 
      1   0.107665D+01  0.126371D+02  0.311135D+01 -0.439633D-01  0.417522D+01
      2   0.227492D+01  0.278276D+01  0.374903D+01 -0.140077D+02  0.131227D+01
      3   0.103321D+02  0.107182D+01 -0.401424D+00  0.739106D+01 -0.176632D+02
               201           202           203           204           205 
      1   0.537519D+00  0.113389D+01  0.203489D+01 -0.340908D+01  0.338282D+01
      2   0.255245D+01 -0.101395D+01  0.272755D+01 -0.562830D+01 -0.204692D+02
      3  -0.227965D+01 -0.979156D+01  0.132965D+01 -0.365510D+01 -0.468945D+01
               206           207           208           209           210 
      1   0.379932D+01  0.663220D+00  0.184034D+01  0.542396D+01  0.160948D+01
      2  -0.128932D+02 -0.636346D+01  0.663990D+00  0.471831D+01  0.105309D+02
      3  -0.536428D+01  0.563479D+01 -0.157653D+02 -0.364266D+02 -0.629100D+01
               211           212           213           214           215 
      1   0.661898D+00  0.152235D+01 -0.620737D+01 -0.292492D+01  0.110239D+00
      2   0.175964D+01  0.229862D+01 -0.697235D+01 -0.476208D+01  0.479193D+01
      3   0.207221D+01 -0.699019D+01 -0.255350D+01 -0.281402D+01 -0.499167D+01
               216           217           218           219           220 
      1  -0.138081D+01 -0.238720D+01 -0.124696D+01  0.158455D+01  0.968644D+00
      2   0.512645D+00 -0.681459D+01 -0.333657D+01  0.763261D+01 -0.383220D+01
      3  -0.262377D+01  0.320511D+02 -0.112617D+02  0.735442D+01 -0.303975D+01
               221           222           223           224           225 
      1  -0.819687D+00  0.791400D+01 -0.102732D+02  0.881961D+01  0.462997D+01
      2  -0.707503D+01  0.314310D+02 -0.702172D+01  0.207029D+02  0.150731D+02
      3  -0.171186D+02  0.856586D+01  0.495192D+01  0.606925D+01 -0.261635D+02
               226           227           228           229           230 
      1   0.478721D+00 -0.578810D+00  0.159441D+01  0.382381D+00  0.631801D-01
      2   0.106941D+01 -0.922236D+00  0.319526D+00 -0.113399D+01  0.314084D+01
      3  -0.820773D+01  0.738426D+01  0.434376D+00  0.683696D+01 -0.199541D+02
               231           232           233           234           235 
      1  -0.450270D+01 -0.102224D+01  0.208326D+01 -0.555033D+00 -0.132403D+01
      2   0.591559D+00  0.311754D-01  0.384174D+00  0.818008D-01  0.181498D+01
      3  -0.309267D+01  0.891330D-01 -0.257249D+01  0.282079D+00  0.362158D+00
               236           237           238           239           240 
      1  -0.141026D+00 -0.254980D+01 -0.880153D+00  0.754904D-01 -0.356478D+01
      2   0.171669D+01  0.350725D+01  0.264298D+01  0.317505D+01  0.461213D+01
      3  -0.592192D+01 -0.572541D+00 -0.582179D+01 -0.134339D+02 -0.246121D+01
               241           242           243           244           245 
      1   0.263952D+01  0.118496D+01 -0.270195D+00  0.285267D+00 -0.486707D+00
      2  -0.262117D+01  0.155097D+01  0.115022D+01  0.193992D+00 -0.581630D+00
      3  -0.968959D+00 -0.253737D+01 -0.190975D+01  0.252984D+01 -0.240188D+01
               246           247           248           249           250 
      1   0.755755D+00 -0.634507D+00  0.321853D+00 -0.301157D+01  0.271110D+00
      2   0.426685D+00 -0.557435D+00 -0.147723D+01 -0.227836D+01 -0.171614D+01
      3   0.845871D-01 -0.633273D+00  0.146776D+02  0.212849D+01 -0.420120D-01
               251           252           253           254           255 
      1   0.153259D+01 -0.895316D-01  0.138225D+01  0.610281D+00  0.132035D+01
      2   0.103278D+01 -0.995992D-01  0.516090D+01  0.401562D-01  0.972948D+01
      3   0.295303D+01 -0.382297D+00 -0.121576D+02 -0.874651D+01 -0.146398D+01
               256           257           258           259           260 
      1   0.244953D+00  0.455817D+00 -0.671809D+00  0.173761D+01  0.529752D-01
      2   0.527322D+00  0.124947D+01  0.242045D+00  0.742845D+01 -0.175658D+01
      3  -0.601292D+01 -0.337424D+01 -0.168636D+01 -0.143889D+01 -0.231469D+01
               261           262           263           264           265 
      1   0.105411D+00 -0.641928D+00  0.144771D+00 -0.121569D+01  0.794321D+00
      2   0.188225D+01 -0.605003D+01  0.116853D+01 -0.259471D+01  0.529925D+01
      3   0.131036D+01 -0.432527D+00  0.272906D+01  0.380889D+00 -0.413805D+01
               266           267           268           269           270 
      1  -0.178232D+01 -0.405741D+01  0.400107D+01 -0.106385D+01 -0.940940D+01
      2  -0.766665D+01 -0.122050D+02  0.941132D+01 -0.128336D+02 -0.324479D+02
      3   0.123448D+02  0.859909D+01 -0.647954D+01  0.125237D+02  0.158984D+02
               271           272           273           274           275 
      1   0.730820D-01 -0.681208D-01 -0.238258D+01 -0.517522D+00  0.802273D+00
      2   0.533057D+01  0.261417D+01 -0.594240D+01 -0.289389D+01  0.121093D+02
      3   0.128260D+01  0.752754D+01 -0.500187D+01 -0.464229D+01  0.256129D+02
               276           277           278           279 
      1  -0.444598D+01  0.186542D+01 -0.862376D+00  0.486493D+01
      2  -0.146538D+02  0.337095D+01 -0.138851D+02  0.174851D+02
      3  -0.151079D+02  0.347385D+01 -0.162292D+02  0.173542D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713288D+02 -0.308036D+02 -0.102600D+02  0.809913D+02  0.161791D+01
      2   0.373355D+02  0.189579D+02  0.790617D+01 -0.361532D+02  0.979816D+01
      3   0.339933D+02  0.118456D+02  0.235381D+01 -0.448381D+02 -0.114161D+02
      4  -0.746631D+01  0.149572D+02  0.326946D+01  0.115374D+02  0.224427D+02
      5  -0.929576D+01  0.118913D+01 -0.334669D+01  0.300289D+00  0.193144D+01
      6  -0.152068D+01  0.415272D+01 -0.700003D+00 -0.199596D+01 -0.784069D-01
                 6             7             8             9            10 
      1   0.105934D+02  0.519411D+01 -0.147863D+01 -0.879130D+01  0.862510D+02
      2  -0.194133D+01  0.553882D-01  0.338008D+01 -0.965698D-01 -0.339240D+02
      3  -0.865208D+01 -0.524950D+01 -0.190145D+01  0.888787D+01 -0.523271D+02
      4   0.549350D+01  0.129615D+01  0.436077D+01  0.274375D+01 -0.258777D+02
      5  -0.324951D+01 -0.526178D+00  0.169228D+01 -0.328554D+01  0.454278D+01
      6  -0.371569D+00 -0.303882D+01  0.501117D+01 -0.249716D+01 -0.286694D+00
                11            12            13            14            15 
      1  -0.157026D+02  0.773779D+01 -0.817928D+02 -0.282719D+02 -0.121797D+02
      2   0.122001D+02 -0.594929D+00  0.315142D+02  0.173883D+02  0.810305D+01
      3   0.350243D+01 -0.714286D+01  0.502786D+02  0.108836D+02  0.407665D+01
      4   0.120638D+02  0.235951D+01 -0.302112D+02 -0.178727D+02 -0.465897D+01
      5   0.372316D+01 -0.106257D+02 -0.366280D+01 -0.524055D+00  0.114069D+01
      6   0.851329D+00  0.106894D+00 -0.148446D+01  0.468898D+01 -0.120038D+01
                16            17            18            19            20 
      1  -0.367096D+01 -0.530887D+01 -0.710427D+01  0.369322D+02  0.389478D+02
      2   0.375395D+01  0.296774D+01 -0.150784D+01 -0.187861D+02 -0.258306D+02
      3  -0.829902D-01  0.234113D+01  0.861211D+01 -0.181461D+02 -0.131172D+02
      4  -0.836630D+01 -0.134282D+01 -0.501302D+01  0.136409D+02 -0.191872D+02
      5   0.202071D+01 -0.278902D+01 -0.446889D+01  0.715979D+01  0.184549D+01
      6  -0.283944D+01  0.501170D+01 -0.151512D+01  0.309097D+01 -0.885471D+01
                21            22            23            24            25 
      1   0.137588D+02 -0.139515D+02  0.195922D+02  0.971462D+01  0.225143D+01
      2  -0.775124D+01  0.208467D+02 -0.219762D+02 -0.565429D+01  0.502959D+01
      3  -0.600757D+01 -0.689516D+01  0.238404D+01 -0.406033D+01 -0.728102D+01
      4  -0.716234D+00  0.112490D+02 -0.167018D+01  0.199421D+01  0.792846D+01
      5  -0.113135D-01  0.461133D+01  0.274260D+01 -0.485702D+01  0.907454D+01
      6  -0.109775D+01  0.662952D+01 -0.101005D+02  0.489728D+01  0.809003D+00
                26            27            28            29            30 
      1   0.170079D+02 -0.446767D+01  0.225803D+02  0.625918D+01 -0.777754D+01
      2  -0.107415D+02 -0.449339D+01 -0.279166D+02 -0.243114D+01  0.250975D+01
      3  -0.626642D+01  0.896106D+01  0.533623D+01 -0.382804D+01  0.526778D+01
      4   0.574924D+00 -0.471102D+01  0.116256D+02  0.123721D+02  0.186163D+01
      5  -0.762357D+01 -0.493275D+01 -0.597623D+01  0.224811D+01  0.660999D+01
      6   0.817902D+01 -0.366581D+01 -0.523965D+01  0.341323D+01  0.130220D+01
                31            32            33            34            35 
      1  -0.212212D+02 -0.539924D+02 -0.123571D+02 -0.136586D+02 -0.120286D+02
      2   0.141316D+02  0.443342D+02  0.135778D+02 -0.132771D+01  0.878642D+01
      3   0.708956D+01  0.965823D+01 -0.122065D+01  0.149863D+02  0.324215D+01
      4  -0.350747D+02  0.160570D+02  0.427132D+01 -0.110134D+02  0.565458D+01
      5  -0.142356D+02  0.416543D+00 -0.445289D+00  0.205569D+02  0.483165D+01
      6  -0.401813D+01  0.149771D+02 -0.576187D-01 -0.118065D+01  0.722880D+01
                36            37            38            39            40 
      1  -0.787315D+01 -0.124515D+02 -0.639888D+02 -0.142224D+02  0.275563D+02
      2  -0.599850D+01  0.587338D+01  0.456265D+02  0.436007D+01 -0.251117D+02
      3   0.138716D+02  0.657816D+01  0.183623D+02  0.986230D+01 -0.244454D+01
      4   0.192471D+01 -0.248648D+02  0.113456D+01 -0.488392D+01  0.218077D+02
      5   0.331427D+01 -0.751514D+00 -0.791512D+01  0.139504D+01  0.113458D+01
      6  -0.173722D+01 -0.638403D+01  0.869727D+01  0.106751D+02 -0.566861D+01
                41            42            43            44            45 
      1   0.309748D+02  0.725177D+01 -0.163949D+01 -0.579631D+01 -0.177676D+02
      2  -0.271727D+02 -0.832548D+01 -0.117755D+02 -0.384030D+01 -0.136718D+01
      3  -0.380212D+01  0.107371D+01  0.134150D+02  0.963661D+01  0.191348D+02
      4  -0.206733D+02 -0.616961D+01 -0.929177D+01 -0.756694D+01  0.479416D+01
      5  -0.419890D+01  0.516995D+01  0.130569D+02  0.443938D+01  0.626736D+01
      6  -0.125941D+02 -0.397032D+00  0.147849D+02  0.105835D+02  0.793641D+01
                46            47            48            49            50 
      1   0.182414D+02  0.531230D+02  0.170167D+02 -0.132030D+02  0.717611D+01
      2  -0.120120D+02 -0.341336D+02 -0.481315D+01  0.120991D+02 -0.121756D+02
      3  -0.622941D+01 -0.189894D+02 -0.122035D+02  0.110387D+01  0.499949D+01
      4   0.268844D+02 -0.129236D+02  0.383464D+00  0.170599D+02  0.105897D+02
      5  -0.512290D+01 -0.183645D+00  0.127842D+01 -0.542326D+00  0.187032D+01
      6   0.207116D+01 -0.119258D+02 -0.113321D+02  0.471829D+01 -0.771687D+01
                51            52            53            54            55 
      1   0.361510D+01  0.250978D+01  0.102820D+02 -0.197152D+02 -0.235391D+02
      2  -0.648048D+01  0.213524D+01 -0.179547D+02  0.625585D+01  0.476677D+01
      3   0.286538D+01 -0.464502D+01  0.767265D+01  0.134594D+02  0.187723D+02
      4   0.381451D+01  0.634236D+01 -0.150339D+01 -0.323669D+01 -0.117883D+02
      5   0.253942D+00  0.450949D+01 -0.124143D+01 -0.468971D+01  0.415206D+01
      6   0.607003D+01 -0.467571D+01  0.172381D+02  0.532049D+01  0.201218D+01
                56            57            58            59            60 
      1   0.384541D+02  0.804633D+01 -0.579040D+01  0.144771D+02  0.626278D+01
      2  -0.320924D+02 -0.283758D+01  0.638057D+01 -0.171927D+02 -0.699530D+01
      3  -0.636170D+01 -0.520875D+01 -0.590168D+00  0.271569D+01  0.732521D+00
      4  -0.551057D+02 -0.852184D+01  0.140589D+02  0.906700D+01 -0.741917D+00
      5  -0.433825D+01 -0.985077D+01  0.454647D+01 -0.968552D+00  0.518620D+01
      6  -0.609956D+01 -0.125498D+02  0.347833D+01 -0.832601D+01  0.728659D+01
                61            62            63            64            65 
      1  -0.120275D+01  0.113764D+02 -0.259862D+02  0.563675D+01 -0.389439D+00
      2   0.162728D+01 -0.163743D+02  0.113889D+02 -0.313702D+00 -0.208121D+01
      3  -0.424531D+00  0.499792D+01  0.145972D+02 -0.532304D+01  0.247065D+01
      4   0.706009D+00 -0.118395D+02  0.704735D+01 -0.116743D+02  0.102219D+02
      5  -0.112315D+01  0.119341D+02 -0.867059D+00  0.457950D+01 -0.137240D+01
      6  -0.497592D+01  0.204889D+02  0.863548D+00 -0.283407D+01  0.168972D+01
                66            67            68            69            70 
      1   0.198694D+01  0.361510D+01 -0.186931D+02 -0.111015D+01  0.389550D+01
      2  -0.114832D+01 -0.828408D+01  0.258233D+02  0.915519D+00 -0.293393D+01
      3  -0.838617D+00  0.466898D+01 -0.713017D+01  0.194629D+00 -0.961576D+00
      4  -0.896975D+00  0.139802D+02 -0.191468D+02 -0.710173D+00  0.850409D-01
      5   0.180298D+01 -0.742844D+00 -0.590690D+00 -0.242699D+01  0.116763D+01
      6  -0.124831D+01  0.165026D+01 -0.209787D+01  0.454641D+01 -0.229366D+01
                71            72            73            74            75 
      1  -0.334522D+01 -0.216865D+01  0.118557D+01 -0.500799D+01 -0.209269D+01
      2   0.340377D+01  0.244121D+01  0.500203D+01  0.102817D+02  0.166773D+01
      3  -0.585558D-01 -0.272560D+00 -0.618760D+01 -0.527368D+01  0.424960D+00
      4  -0.210654D+01 -0.130775D+01  0.213464D+02  0.200899D+02  0.551082D+01
      5  -0.315990D+00 -0.700468D-02  0.813416D+01  0.584120D+01  0.518332D+01
      6   0.178335D+01  0.894010D+00  0.735680D+01  0.746274D+01  0.466517D+01
                76            77            78            79            80 
      1  -0.909456D+01 -0.198230D+02 -0.627120D+01 -0.607808D+00 -0.404926D+01
      2   0.153484D+02  0.285977D+02  0.536961D+01  0.391077D+01  0.526940D+01
      3  -0.625389D+01 -0.877474D+01  0.901593D+00 -0.330296D+01 -0.122014D+01
      4   0.228843D+02  0.284105D+02  0.692187D+01  0.713176D+01  0.689427D+01
      5   0.663078D+01  0.722900D+01  0.506904D+01  0.207603D+01  0.341540D+01
      6   0.993672D+01  0.141218D+02  0.876466D+01  0.130304D+01  0.519231D+01
                81            82            83            84            85 
      1  -0.165241D+01 -0.463642D+01  0.962190D+01  0.962332D+00  0.831535D+01
      2   0.219662D+01  0.769220D+01 -0.143089D+02 -0.110661D+01 -0.105414D+02
      3  -0.544210D+00 -0.305578D+01  0.468705D+01  0.144282D+00  0.222607D+01
      4   0.404743D+01 -0.746249D+01  0.144791D+02  0.201382D+01  0.961152D+01
      5   0.221261D+01 -0.248052D+01  0.357541D+01  0.261042D+01  0.256705D+01
      6   0.310619D+01  0.250149D+01 -0.343143D+01 -0.247212D+01 -0.364839D+01
                86            87            88            89            90 
      1  -0.430521D+02 -0.746952D+01  0.852661D+00 -0.640801D+01 -0.205539D+01
      2   0.566226D+02  0.690633D+01 -0.160165D+01  0.769809D+01  0.218537D+01
      3  -0.135705D+02  0.563193D+00  0.748990D+00 -0.129009D+01 -0.129979D+00
      4  -0.199527D+02 -0.307626D+01  0.153620D+01 -0.110002D+01 -0.206751D+01
      5  -0.628524D+01 -0.259454D+01  0.138746D+01 -0.237745D+01 -0.629515D+00
      6   0.153884D+02  0.921436D+01 -0.453912D-01  0.483192D+01  0.204736D+01
                91            92            93            94            95 
      1  -0.304393D+02 -0.170647D+02  0.114709D+02 -0.975511D+01 -0.392398D+01
      2   0.247250D+02  0.148444D+02 -0.610544D+01  0.110386D+02  0.292863D+01
      3   0.571424D+01  0.222023D+01 -0.536544D+01 -0.128347D+01  0.995343D+00
      4  -0.183391D+02 -0.160350D+02  0.280446D+01 -0.259212D+02  0.138927D+02
      5   0.133532D+02  0.233607D+01 -0.223718D+02 -0.507353D+00 -0.255537D+02
      6   0.118323D+01 -0.542573D+01  0.111472D+00 -0.710313D+01  0.283216D+01
                96            97            98            99           100 
      1  -0.260318D+01  0.282349D+02  0.558900D+01 -0.178040D+02 -0.642609D+02
      2   0.580155D+01 -0.202831D+02  0.637350D+00  0.123868D+02  0.378806D+02
      3  -0.319837D+01 -0.795175D+01 -0.622635D+01  0.541722D+01  0.263803D+02
      4  -0.259402D+02  0.677813D+01 -0.202046D+02 -0.147131D+02  0.192300D+02
      5  -0.625616D+01 -0.387460D+02 -0.151907D+02 -0.163409D+01 -0.291324D+02
      6  -0.935618D+01 -0.739564D+01 -0.309201D+01 -0.679311D+01  0.420211D+01
               101           102           103           104           105 
      1   0.198989D+02 -0.277824D+02 -0.191027D+01  0.100910D+02 -0.273330D+01
      2  -0.144511D+02  0.860190D+01 -0.332919D+01 -0.639884D+01 -0.145504D+02
      3  -0.544787D+01  0.191805D+02  0.523946D+01 -0.369216D+01  0.172837D+02
      4   0.176498D+02 -0.422245D+01  0.217420D+02 -0.161091D+02  0.263686D+02
      5  -0.543450D+01  0.200734D+02 -0.792348D+01  0.268069D+02  0.101997D+02
      6   0.641872D+01 -0.121568D+02  0.899260D+01 -0.118345D+02 -0.363740D+01
               106           107           108           109           110 
      1  -0.195763D+02 -0.671578D+01  0.346292D+02 -0.894575D+02 -0.178557D+02
      2   0.925599D+01 -0.112887D+02 -0.161652D+02  0.334548D+02 -0.161467D-01
      3   0.103203D+02  0.180044D+02 -0.184639D+02  0.560028D+02  0.178718D+02
      4  -0.574290D+01  0.171867D+02  0.148275D+02 -0.335860D+02 -0.253067D+02
      5   0.126459D+02  0.187595D+02 -0.114737D+02  0.140486D+02  0.667097D+01
      6  -0.665208D+01 -0.883494D+01  0.142181D+02  0.165119D+01  0.244435D+01
               111           112           113           114           115 
      1   0.836792D+01 -0.194400D+02 -0.108224D+02  0.366072D+01 -0.387739D+02
      2  -0.133627D+01  0.391697D+01  0.618164D+01 -0.458344D+00  0.288141D+02
      3  -0.703165D+01  0.155231D+02  0.464073D+01 -0.320237D+01  0.995978D+01
      4   0.470812D+01  0.479136D+01 -0.132619D+02  0.230135D+01 -0.479265D+01
      5  -0.723026D+01  0.420624D+01  0.335338D+01 -0.114541D+01  0.322739D+02
      6  -0.266637D+01  0.408105D+01  0.809635D+00  0.314167D+01  0.983015D+01
               116           117           118           119           120 
      1  -0.347028D+01  0.263999D+02  0.116884D+02  0.781658D+01  0.556819D+01
      2   0.452629D+01 -0.792939D+01 -0.908984D+01 -0.565001D+01 -0.510193D+01
      3  -0.105601D+01 -0.184705D+02 -0.259855D+01 -0.216657D+01 -0.466264D+00
      4  -0.213475D+00  0.682692D+01  0.139127D+02  0.120227D+02  0.473650D+01
      5   0.674637D+01 -0.255058D+01  0.143098D+02  0.561179D+01  0.159902D+02
      6  -0.126402D+01  0.999642D+00  0.537881D+01  0.292459D+01  0.307591D+01
               121           122           123           124           125 
      1   0.166041D+02  0.722884D+00 -0.641327D+00  0.790642D+01 -0.125868D+01
      2  -0.107227D+02 -0.298324D+00 -0.239784D+01 -0.817168D+01 -0.325262D+01
      3  -0.588143D+01 -0.424561D+00  0.303917D+01  0.265268D+00  0.451129D+01
      4   0.158686D+02  0.185421D+02  0.155440D+02  0.629594D+01  0.159954D+02
      5   0.111899D+02  0.158356D+02  0.149727D+02  0.219047D+02  0.134760D+02
      6   0.479078D+01  0.936207D+01  0.983370D+01  0.515871D+01  0.847420D+01
               126           127           128           129           130 
      1  -0.460592D+00 -0.539744D+01 -0.978145D+01  0.195178D+02 -0.204928D+01
      2  -0.972334D+01  0.129165D+00  0.582071D+01 -0.427822D+01  0.872684D+00
      3   0.101839D+02  0.526828D+01  0.396073D+01 -0.152396D+02  0.117660D+01
      4   0.135591D+02  0.539560D+00 -0.620699D+01  0.267535D+01  0.998496D+00
      5   0.280720D+02  0.413019D+01  0.468783D+01 -0.980758D+01 -0.625962D+00
      6   0.952563D+01 -0.347982D+01 -0.632906D+01  0.102256D+02 -0.133190D+01
               131           132           133           134           135 
      1  -0.116216D+02  0.107730D+02  0.128517D+02  0.136412D+02 -0.356148D+02
      2   0.724484D+01 -0.386963D+01 -0.521624D+01 -0.391976D+01 -0.869402D+00
      3   0.437680D+01 -0.690342D+01 -0.763547D+01 -0.972141D+01  0.364842D+02
      4  -0.725503D+01  0.568939D+01 -0.668601D+01  0.123019D+02 -0.144631D+02
      5   0.558160D+01 -0.101267D+02  0.533914D+01 -0.172221D+02  0.396053D+02
      6  -0.856544D+01  0.131194D+02  0.331641D+00  0.161162D+02 -0.274472D+02
               136           137           138           139           140 
      1   0.982210D+00 -0.680711D+01 -0.152135D+01 -0.721288D+01 -0.128989D+02
      2   0.165112D+01  0.574847D+01  0.235979D+01  0.180498D+01  0.261236D+02
      3  -0.263333D+01  0.105864D+01 -0.838432D+00  0.540791D+01 -0.132247D+02
      4  -0.227428D+01 -0.240239D+01  0.181940D+01  0.899703D+01 -0.285306D+02
      5  -0.270228D+01  0.181737D+00 -0.366761D+01 -0.303823D+00 -0.123757D+02
      6   0.216184D+01 -0.784554D+00  0.277578D+01 -0.390414D+00  0.380298D+01
               141           142           143           144           145 
      1  -0.395306D+01 -0.692318D+01 -0.418619D+01 -0.881660D+01  0.102498D+03
      2   0.115620D+02  0.217522D+01  0.142665D+02  0.999566D+01 -0.544249D+02
      3  -0.760896D+01  0.474796D+01 -0.100803D+02 -0.117906D+01 -0.480728D+02
      4  -0.111951D+02  0.100520D+02 -0.221348D+02 -0.105295D+02 -0.438759D+02
      5  -0.130053D+02 -0.824229D+00 -0.117540D+02 -0.149513D+02  0.393214D+02
      6   0.780134D+01  0.665667D+00  0.613837D+01  0.704558D+01 -0.872869D+01
               146           147           148           149           150 
      1  -0.153256D+02  0.154775D+02 -0.353892D+01  0.714011D+01  0.284648D-01
      2   0.468771D+01 -0.110669D+02 -0.120994D+01 -0.202192D+01  0.465682D+00
      3   0.106379D+02 -0.441055D+01  0.474885D+01 -0.511818D+01 -0.494147D+00
      4   0.206233D+02 -0.867123D+01  0.123633D+02 -0.428640D+01 -0.152629D-01
      5  -0.803709D+01  0.197428D+02 -0.281640D+00  0.134516D+01 -0.643128D+00
      6   0.473178D+01 -0.511225D+01  0.286263D+01 -0.167149D+00  0.201500D+01
               151           152           153           154           155 
      1   0.113446D+02 -0.744440D+00  0.660208D+01  0.193391D+03  0.330645D+02
      2  -0.882590D+01  0.200276D+01 -0.584661D+01 -0.885244D+02 -0.925730D+01
      3  -0.251874D+01 -0.125832D+01 -0.755467D+00 -0.104867D+03 -0.238072D+02
      4  -0.409959D+01  0.460858D+00 -0.545476D+01  0.529554D+02  0.466256D+02
      5   0.172612D+02 -0.463546D+01  0.993696D+01 -0.346476D+02 -0.920686D+01
      6  -0.354993D+01  0.286498D+01 -0.311323D+01 -0.152729D+01 -0.422468D+01
               156           157           158           159           160 
      1  -0.931026D+01  0.305206D+02  0.349372D+02 -0.277065D+00 -0.939566D+01
      2   0.931841D+01 -0.601006D+01 -0.837068D+01  0.591876D+00  0.947627D+01
      3  -0.814929D-02 -0.245105D+02 -0.265665D+02 -0.314810D+00 -0.806158D-01
      4  -0.663756D+01  0.544844D+02  0.376984D+02 -0.467207D+01 -0.566305D+01
      5   0.380215D+02 -0.569880D+01 -0.839758D+01  0.855255D+01  0.375724D+02
      6   0.349348D+01 -0.853711D+01 -0.490190D+01  0.603451D+01  0.464715D+01
               161           162           163           164           165 
      1  -0.141690D+01  0.218314D+02  0.544987D+02  0.102942D+02 -0.190164D+02
      2   0.146500D+01 -0.143077D+02 -0.361013D+02 -0.441909D+01  0.114482D+02
      3  -0.481038D-01 -0.752373D+01 -0.183974D+02 -0.587514D+01  0.756824D+01
      4  -0.234105D+01  0.915685D+01  0.160014D+02  0.759293D+01 -0.124471D+01
      5   0.917819D+01 -0.943145D+01 -0.339243D+02 -0.156429D+01  0.186757D+02
      6   0.523132D+01 -0.226028D+01 -0.585988D+01 -0.933031D+00  0.915381D+00
               166           167           168           169           170 
      1   0.161344D+02 -0.861559D+01  0.863283D+00  0.515199D+01  0.370387D+01
      2  -0.930147D+01  0.227760D+01 -0.954512D+00 -0.176968D+00 -0.222511D+01
      3  -0.683288D+01  0.633799D+01  0.912289D-01 -0.497502D+01 -0.147876D+01
      4   0.533242D+01 -0.132892D+01 -0.945547D+01  0.243626D+01 -0.465564D+01
      5  -0.652385D+01 -0.904396D+01  0.123506D+01  0.101953D+02  0.473541D+00
      6  -0.269635D+01 -0.199504D+01  0.112212D+02 -0.164438D+01  0.987679D+01
               171           172           173           174           175 
      1  -0.332352D+02 -0.512502D+02 -0.498104D+01 -0.212497D+01 -0.134303D+02
      2  -0.106159D+02  0.310443D+02  0.291505D+01 -0.714315D+01  0.956560D+01
      3   0.438512D+02  0.202059D+02  0.206598D+01  0.926812D+01  0.386473D+01
      4  -0.166742D+01 -0.113131D+02 -0.476699D+01  0.118535D+01 -0.199256D+01
      5  -0.380180D+02  0.257930D+02  0.179664D+01 -0.169614D+02  0.677965D+01
      6  -0.233834D+01  0.486648D+01  0.325812D+01 -0.141416D+01  0.181322D+01
               176           177           178           179           180 
      1  -0.474123D+01  0.141640D+00  0.119957D+02  0.196751D+01 -0.851452D+01
      2   0.293440D+01 -0.262208D+01 -0.110841D+02 -0.165444D+01  0.441822D+01
      3   0.180682D+01  0.248044D+01 -0.911655D+00 -0.313068D+00  0.409631D+01
      4  -0.770470D+00 -0.205996D+01  0.513311D+01  0.912506D+00 -0.175580D+01
      5  -0.161747D+01 -0.517681D+01 -0.100383D+02 -0.945807D+00  0.344528D+01
      6   0.125264D+01  0.218249D+01 -0.171008D+01  0.485461D+00  0.139044D+01
               181           182           183           184           185 
      1   0.335786D+02 -0.549659D+02 -0.751110D+01  0.401994D+02  0.225152D+02
      2  -0.163428D+02  0.443737D+02  0.242263D+01 -0.288294D+02 -0.226900D+02
      3  -0.172358D+02  0.105922D+02  0.508847D+01 -0.113700D+02  0.174777D+00
      4  -0.668332D+01  0.400934D+02 -0.142079D+01  0.110855D+02 -0.303560D+02
      5  -0.849893D+01 -0.366393D+01  0.122136D+02 -0.209844D+01 -0.114222D+02
      6  -0.701001D+01 -0.145229D+00  0.116324D+02 -0.718189D+01 -0.960673D+01
               186           187           188           189           190 
      1   0.547927D+01  0.517552D+01 -0.696502D+01  0.860845D+00  0.117618D+03
      2  -0.638502D+01 -0.131231D+02 -0.153227D+01 -0.827209D+01 -0.633269D+02
      3   0.905753D+00  0.794756D+01  0.849729D+01  0.741124D+01 -0.542912D+02
      4  -0.102645D+02 -0.109258D+02 -0.101580D+02  0.208969D+02  0.213206D+01
      5   0.685854D+01  0.311316D+02  0.175106D+02  0.117477D+02 -0.801112D+00
      6   0.189429D+01  0.212217D+02  0.139920D+02  0.632391D+01 -0.304429D+01
               191           192           193           194           195 
      1   0.110322D+02  0.957984D+01  0.564762D+02 -0.430032D+02 -0.638968D+01
      2   0.246682D+01 -0.238279D+01 -0.225578D+02  0.438767D+02  0.117281D+02
      3  -0.134991D+02 -0.719705D+01 -0.339183D+02 -0.873471D+00 -0.533845D+01
      4   0.157941D+02  0.113720D+01 -0.455518D+02  0.581440D+02  0.439552D+01
      5   0.223063D+01  0.847030D+01 -0.125015D+02  0.823717D+01  0.272844D+01
      6   0.804407D-01  0.297595D+01 -0.339120D+01  0.869444D+01 -0.558584D+01
               196           197           198           199           200 
      1   0.117733D+02 -0.116074D+02  0.216759D+02 -0.104663D+03  0.186028D+02
      2  -0.696863D+01  0.103017D+02 -0.189370D+02  0.427832D+02 -0.189560D+02
      3  -0.480470D+01  0.130572D+01 -0.273882D+01  0.618797D+02  0.353205D+00
      4  -0.170217D+02  0.958723D+01  0.300566D+01  0.260966D+02 -0.278742D+02
      5   0.465692D+02  0.912437D+01  0.864215D+01 -0.553575D+01 -0.242969D+01
      6   0.154328D+01  0.674861D+01 -0.310039D+01  0.225964D+01 -0.422631D+01
               201           202           203           204           205 
      1  -0.545721D+01 -0.913686D+02  0.117286D+02 -0.251461D+01 -0.275630D+02
      2   0.121189D+01  0.560470D+02 -0.195471D+02 -0.121447D+01  0.165113D+02
      3   0.424532D+01  0.353216D+02  0.781856D+01  0.372909D+01  0.110517D+02
      4  -0.613680D+00  0.234802D+02 -0.209298D+02  0.370783D+01  0.910775D+01
      5   0.610627D+01 -0.166542D+01  0.196270D+01 -0.123256D+02  0.428275D+01
      6  -0.112893D+01  0.621954D+01 -0.755664D+01  0.790346D+01 -0.146578D+01
               206           207           208           209           210 
      1   0.105235D+02 -0.139748D+02  0.226106D+02  0.675657D+01  0.254690D-01
      2  -0.102664D+02 -0.380548D+01 -0.142670D+02 -0.518730D+01 -0.216299D+01
      3  -0.257042D+00  0.177803D+02 -0.834363D+01 -0.156928D+01  0.213752D+01
      4  -0.749849D+00 -0.170374D+02  0.173105D+02  0.920236D+01 -0.234194D+00
      5  -0.214419D+02 -0.123837D+02  0.699978D+01 -0.112055D+01  0.190154D+02
      6   0.831672D+01 -0.899254D+00  0.837219D+00  0.203292D+01 -0.288696D+01
               211           212           213           214           215 
      1   0.173765D+02  0.270081D+01  0.455275D+01  0.336251D+01 -0.489512D+00
      2  -0.893347D+01 -0.572102D+00 -0.516965D+01 -0.375282D+01 -0.166734D+01
      3  -0.844307D+01 -0.212871D+01  0.616897D+00  0.390312D+00  0.215685D+01
      4   0.264929D+02  0.193648D+02  0.613035D+01  0.379371D+01  0.229863D+01
      5   0.641080D+01  0.452563D+01 -0.127693D+02  0.127413D+02  0.477731D+01
      6   0.478637D+00 -0.133302D+01  0.107607D+02  0.108608D+01  0.383151D+01
               216           217           218           219           220 
      1   0.476366D+01 -0.780583D+02 -0.932069D+01 -0.167547D+02 -0.265519D+02
      2  -0.342844D+01  0.451795D+02  0.178473D+01  0.102128D+02  0.105425D+02
      3  -0.133522D+01  0.328788D+02  0.753596D+01  0.654190D+01  0.160094D+02
      4   0.610374D+01 -0.156432D+02  0.261567D+02 -0.415711D+01  0.273529D+01
      5   0.376266D+01 -0.162301D+02 -0.445302D+01  0.103251D+02 -0.929333D+01
      6   0.291019D+01  0.724246D+00  0.329935D+01 -0.418453D+01  0.491130D+00
               221           222           223           224           225 
      1   0.215826D+02 -0.159730D+02 -0.155647D+02 -0.968195D+01  0.135067D+02
      2  -0.120318D+02  0.120809D+02  0.577016D+01  0.846348D+01 -0.107289D+02
      3  -0.955078D+01  0.389201D+01  0.979455D+01  0.121847D+01 -0.277773D+01
      4   0.164914D+01 -0.150499D+02 -0.622507D+01 -0.922770D+01  0.368552D+02
      5  -0.151371D+02  0.601458D+02 -0.130245D+02  0.377140D+02  0.296495D+02
      6   0.723490D+01 -0.216909D+02  0.908554D+01 -0.152551D+02 -0.569627D+01
               226           227           228           229           230 
      1  -0.755200D+01  0.169092D+02  0.144910D+01  0.848949D+01 -0.509476D+02
      2   0.879997D+01 -0.190794D+02 -0.148061D+01 -0.924303D+01  0.644538D+02
      3  -0.124797D+01  0.217018D+01  0.315035D-01  0.753541D+00 -0.135061D+02
      4  -0.211506D+01  0.472339D+01  0.730168D+00  0.270043D+01  0.122679D+02
      5  -0.788548D+00  0.132559D+01  0.126708D+01  0.301201D+00 -0.681063D+00
      6   0.756071D+00 -0.120648D+01 -0.233975D+01 -0.156323D+01  0.789940D+01
               231           232           233           234           235 
      1  -0.736187D+01  0.220811D+00 -0.692820D+01 -0.127385D+01  0.254106D+02
      2   0.719716D+01 -0.897387D+00  0.836236D+01  0.201166D+01 -0.334606D+01
      3   0.164704D+00  0.676576D+00 -0.143416D+01 -0.737800D+00 -0.220646D+02
      4   0.143318D+01 -0.999697D-01  0.273742D+01 -0.753096D+00  0.431770D+02
      5   0.122700D+01  0.219757D+01 -0.514985D+00  0.294513D+00  0.102698D+02
      6   0.808411D+01  0.566434D+00  0.360222D+01  0.171697D+01  0.630393D+01
               236           237           238           239           240 
      1   0.133496D+02  0.423745D+01  0.114876D+02  0.260535D+01  0.864635D+00
      2   0.374764D+01 -0.907818D+00  0.936803D+01  0.207532D+02  0.266046D+01
      3  -0.170973D+02 -0.332963D+01 -0.208556D+02 -0.233585D+02 -0.352510D+01
      4   0.379214D+02  0.975535D+01  0.451178D+02  0.548095D+02  0.124249D+02
      5   0.747602D+01  0.788150D+01  0.958063D+01  0.950564D+01  0.840913D+01
      6   0.548837D+01  0.479128D+01  0.788528D+01  0.967082D+01  0.781697D+01
               241           242           243           244           245 
      1   0.552736D+01  0.197843D+01 -0.561461D+00  0.568424D+01 -0.976499D+01
      2   0.147227D+01  0.325687D+01  0.186677D+01 -0.642305D-01  0.251379D+01
      3  -0.699963D+01 -0.523530D+01 -0.130531D+01 -0.562001D+01  0.725120D+01
      4   0.135090D+02  0.134483D+02  0.572727D+01 -0.162439D+02  0.143262D+02
      5   0.146943D+01  0.412409D+01  0.313701D+01 -0.241209D+01  0.114178D+01
      6   0.494798D+00  0.405896D+01  0.264321D+01  0.679525D+00  0.246194D-01
               246           247           248           249           250 
      1  -0.119180D+01 -0.119077D+02 -0.301751D+01 -0.108173D+01 -0.158257D+01
      2   0.462504D+00 -0.494580D+00  0.155507D+02  0.843107D+00  0.371347D+00
      3   0.729294D+00  0.124023D+02 -0.125332D+02  0.238628D+00  0.121122D+01
      4   0.606588D+00  0.256038D+02 -0.383412D+02 -0.409453D+01  0.274107D+01
      5   0.136591D+01  0.347257D+01 -0.654518D+01 -0.464320D+01  0.905766D+00
      6  -0.571793D+00 -0.146452D+01  0.322562D+01  0.438286D+01 -0.193966D+01
               251           252           253           254           255 
      1  -0.174262D+01 -0.149706D+01  0.199785D+03 -0.356770D+01  0.173865D+02
      2   0.249146D+01  0.203745D+01 -0.104840D+03 -0.177212D+00 -0.101884D+02
      3  -0.748835D+00 -0.540395D+00 -0.949444D+02  0.374491D+01 -0.719815D+01
      4  -0.559978D+01 -0.620729D+00 -0.207219D+02  0.157190D+02 -0.190255D+01
      5   0.112931D-01 -0.344826D+00  0.196573D+02 -0.502333D+00  0.194400D+02
      6   0.147629D+01  0.111816D+01 -0.322715D+01  0.722254D+00 -0.248092D+01
               256           257           258           259           260 
      1   0.228791D+02  0.142988D+02  0.266994D+01  0.227922D+02  0.472253D+00
      2  -0.143083D+02 -0.713244D+01 -0.205854D+01 -0.133890D+02 -0.914401D+00
      3  -0.857084D+01 -0.716638D+01 -0.611394D+00 -0.940320D+01  0.442148D+00
      4   0.158434D+02  0.380885D+01  0.307607D+01 -0.263447D+01  0.371948D+01
      5   0.183175D+01  0.330784D+01  0.808983D+00  0.234635D+02 -0.340188D+01
      6   0.474544D+00 -0.432820D+00  0.157092D+01 -0.250841D+01  0.248463D+01
               261           262           263           264           265 
      1   0.159676D+02  0.758841D+01 -0.233822D+01 -0.887678D+01 -0.455566D+01
      2  -0.950841D+01 -0.445501D+01  0.180818D+01  0.353648D+01  0.666998D+00
      3  -0.645921D+01 -0.313340D+01  0.530043D+00  0.534030D+01  0.388866D+01
      4  -0.440719D+01 -0.129640D+00 -0.133708D+01  0.381988D+01  0.160900D+02
      5   0.525108D+01 -0.833498D+01  0.275143D+01 -0.267376D+01  0.123055D+02
      6  -0.522760D+00  0.244980D+01 -0.564341D+00  0.218071D+01 -0.423156D+01
               266           267           268           269           270 
      1   0.113969D+01  0.326797D+01 -0.324960D+02  0.837696D+01  0.182622D+01
      2   0.301664D+01  0.706699D+00  0.183405D+02 -0.243653D+01 -0.686535D+01
      3  -0.415633D+01 -0.397467D+01  0.141554D+02 -0.594043D+01  0.503913D+01
      4  -0.188463D+02 -0.151103D+02  0.245475D+02 -0.212571D+02 -0.239680D+02
      5  -0.153558D+02 -0.240838D+02  0.322545D+02 -0.245543D+02 -0.629316D+02
      6   0.611952D+01  0.106963D+02 -0.966625D+01  0.107125D+02  0.170711D+02
               271           272           273           274           275 
      1  -0.528094D+01 -0.527114D+01  0.118544D+02 -0.946828D+01 -0.684292D+01
      2   0.249487D+01  0.469688D+01 -0.588409D+01  0.208053D+01  0.136090D+02
      3   0.278607D+01  0.574261D+00 -0.597028D+01  0.738775D+01 -0.676609D+01
      4   0.360223D+01 -0.717252D+01  0.329385D+01  0.212194D+02 -0.390173D+02
      5   0.559201D+01  0.413637D+01 -0.983079D+01 -0.926154D+01  0.240457D+02
      6  -0.134443D+01 -0.354159D+01  0.541517D+01  0.561255D+01 -0.142258D+02
               276           277           278           279 
      1   0.747865D+01  0.213421D+02  0.300439D+01 -0.945616D+01
      2  -0.803564D+01 -0.944387D+01 -0.490938D+01  0.255470D+01
      3   0.556990D+00 -0.118982D+02  0.190499D+01  0.690147D+01
      4   0.250559D+02 -0.168578D+02  0.258684D+02 -0.258104D+02
      5  -0.282090D+02  0.166083D+02 -0.258039D+02  0.326696D+02
      6   0.141500D+02 -0.755062D+01  0.139374D+02 -0.149970D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 20:48:50 2021, MaxMem=  5368709120 cpu:           68360.1 elap:            8565.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31792 -19.31591 -19.25376 -10.42927 -10.37626
 Alpha  occ. eigenvalues --  -10.36101 -10.32930 -10.32689 -10.32557 -10.32197
 Alpha  occ. eigenvalues --  -10.31902 -10.31873 -10.31646 -10.31577 -10.31396
 Alpha  occ. eigenvalues --  -10.30963 -10.30411  -1.20944  -1.19084  -1.12608
 Alpha  occ. eigenvalues --   -1.00046  -0.95522  -0.91162  -0.89032  -0.86222
 Alpha  occ. eigenvalues --   -0.83805  -0.81326  -0.76722  -0.73602  -0.71634
 Alpha  occ. eigenvalues --   -0.71080  -0.69577  -0.63991  -0.63009  -0.62247
 Alpha  occ. eigenvalues --   -0.60413  -0.57449  -0.57216  -0.55850  -0.55427
 Alpha  occ. eigenvalues --   -0.55051  -0.53707  -0.52642  -0.52486  -0.50828
 Alpha  occ. eigenvalues --   -0.50317  -0.49863  -0.48468  -0.47327  -0.46152
 Alpha  occ. eigenvalues --   -0.45971  -0.45526  -0.44128  -0.43469  -0.42155
 Alpha  occ. eigenvalues --   -0.40445  -0.40245  -0.38549  -0.35583  -0.32169
 Alpha  occ. eigenvalues --   -0.29725
 Alpha virt. eigenvalues --    0.00501   0.02821   0.03236   0.03410   0.03819
 Alpha virt. eigenvalues --    0.04655   0.04996   0.05090   0.05948   0.06230
 Alpha virt. eigenvalues --    0.06516   0.06794   0.07052   0.08289   0.08473
 Alpha virt. eigenvalues --    0.08746   0.09085   0.10137   0.10477   0.10584
 Alpha virt. eigenvalues --    0.10822   0.11411   0.12144   0.12607   0.12880
 Alpha virt. eigenvalues --    0.13139   0.13242   0.13699   0.13939   0.14341
 Alpha virt. eigenvalues --    0.14503   0.14685   0.15048   0.15310   0.15668
 Alpha virt. eigenvalues --    0.15933   0.16160   0.16776   0.17012   0.17422
 Alpha virt. eigenvalues --    0.17620   0.17994   0.18036   0.18379   0.18644
 Alpha virt. eigenvalues --    0.18994   0.19352   0.19573   0.20054   0.20273
 Alpha virt. eigenvalues --    0.20758   0.21432   0.21742   0.22343   0.22921
 Alpha virt. eigenvalues --    0.23167   0.23908   0.24636   0.24785   0.25222
 Alpha virt. eigenvalues --    0.25416   0.25557   0.25754   0.25912   0.26553
 Alpha virt. eigenvalues --    0.26819   0.27300   0.27899   0.27981   0.28693
 Alpha virt. eigenvalues --    0.28861   0.29231   0.29308   0.29918   0.30202
 Alpha virt. eigenvalues --    0.30630   0.30855   0.31224   0.31334   0.31635
 Alpha virt. eigenvalues --    0.32017   0.32612   0.33026   0.33338   0.33502
 Alpha virt. eigenvalues --    0.34106   0.34182   0.34433   0.34694   0.35300
 Alpha virt. eigenvalues --    0.35539   0.36002   0.36526   0.36591   0.37011
 Alpha virt. eigenvalues --    0.37192   0.37591   0.37776   0.38214   0.38494
 Alpha virt. eigenvalues --    0.39008   0.39300   0.39853   0.39925   0.40236
 Alpha virt. eigenvalues --    0.40816   0.41587   0.41854   0.42610   0.42923
 Alpha virt. eigenvalues --    0.43535   0.43710   0.44136   0.44659   0.44895
 Alpha virt. eigenvalues --    0.45406   0.45680   0.45921   0.46405   0.46941
 Alpha virt. eigenvalues --    0.47404   0.48035   0.48315   0.49050   0.49249
 Alpha virt. eigenvalues --    0.50009   0.50189   0.51138   0.51413   0.52155
 Alpha virt. eigenvalues --    0.52239   0.53396   0.54199   0.54508   0.54788
 Alpha virt. eigenvalues --    0.55202   0.55781   0.56720   0.56951   0.57245
 Alpha virt. eigenvalues --    0.57672   0.58529   0.58663   0.59076   0.59639
 Alpha virt. eigenvalues --    0.59987   0.60283   0.60747   0.61115   0.61603
 Alpha virt. eigenvalues --    0.61840   0.62447   0.62540   0.63467   0.63770
 Alpha virt. eigenvalues --    0.64205   0.65083   0.65427   0.65640   0.65927
 Alpha virt. eigenvalues --    0.66540   0.66665   0.66989   0.67488   0.67811
 Alpha virt. eigenvalues --    0.67854   0.68375   0.68762   0.69466   0.70050
 Alpha virt. eigenvalues --    0.70329   0.70532   0.71051   0.71273   0.71729
 Alpha virt. eigenvalues --    0.72440   0.73020   0.73487   0.73724   0.73960
 Alpha virt. eigenvalues --    0.74822   0.75345   0.75668   0.76048   0.76766
 Alpha virt. eigenvalues --    0.77254   0.78012   0.78297   0.78638   0.78972
 Alpha virt. eigenvalues --    0.79362   0.80530   0.80943   0.81488   0.82140
 Alpha virt. eigenvalues --    0.82262   0.82557   0.83104   0.83415   0.83914
 Alpha virt. eigenvalues --    0.84081   0.84549   0.85146   0.85344   0.86027
 Alpha virt. eigenvalues --    0.86776   0.87228   0.88204   0.88487   0.88778
 Alpha virt. eigenvalues --    0.89375   0.90896   0.91093   0.91303   0.92272
 Alpha virt. eigenvalues --    0.92763   0.93179   0.93806   0.94166   0.95141
 Alpha virt. eigenvalues --    0.95846   0.96700   0.97085   0.98590   0.99400
 Alpha virt. eigenvalues --    1.00161   1.01249   1.01706   1.02220   1.03144
 Alpha virt. eigenvalues --    1.03362   1.05783   1.06909   1.07224   1.07798
 Alpha virt. eigenvalues --    1.09286   1.09739   1.10550   1.11083   1.12804
 Alpha virt. eigenvalues --    1.13184   1.14120   1.14594   1.15395   1.16792
 Alpha virt. eigenvalues --    1.17426   1.19053   1.20408   1.21550   1.22894
 Alpha virt. eigenvalues --    1.24342   1.24504   1.25429   1.25656   1.26769
 Alpha virt. eigenvalues --    1.27590   1.28869   1.29213   1.30117   1.30757
 Alpha virt. eigenvalues --    1.31389   1.32407   1.33697   1.35552   1.36455
 Alpha virt. eigenvalues --    1.37773   1.38210   1.38523   1.40322   1.41232
 Alpha virt. eigenvalues --    1.41531   1.41968   1.43147   1.44583   1.45680
 Alpha virt. eigenvalues --    1.46209   1.47699   1.48519   1.48873   1.49084
 Alpha virt. eigenvalues --    1.50226   1.50629   1.51583   1.51782   1.52149
 Alpha virt. eigenvalues --    1.53424   1.54043   1.54904   1.55561   1.56280
 Alpha virt. eigenvalues --    1.57560   1.58753   1.59475   1.59601   1.60075
 Alpha virt. eigenvalues --    1.61400   1.61970   1.62637   1.62990   1.64099
 Alpha virt. eigenvalues --    1.65568   1.66697   1.66959   1.67128   1.68317
 Alpha virt. eigenvalues --    1.68647   1.69650   1.70542   1.71119   1.71594
 Alpha virt. eigenvalues --    1.72091   1.72813   1.73890   1.74693   1.75874
 Alpha virt. eigenvalues --    1.76141   1.77198   1.77446   1.78846   1.79208
 Alpha virt. eigenvalues --    1.80441   1.81207   1.82098   1.82759   1.83934
 Alpha virt. eigenvalues --    1.84943   1.85651   1.86633   1.86774   1.88377
 Alpha virt. eigenvalues --    1.89281   1.89637   1.91608   1.92791   1.93291
 Alpha virt. eigenvalues --    1.94159   1.95556   1.95815   1.96831   1.97272
 Alpha virt. eigenvalues --    1.98356   1.98560   1.99179   2.00539   2.01959
 Alpha virt. eigenvalues --    2.02412   2.03345   2.04357   2.05119   2.05642
 Alpha virt. eigenvalues --    2.06733   2.07191   2.07601   2.09136   2.10077
 Alpha virt. eigenvalues --    2.10610   2.10992   2.11970   2.12769   2.13824
 Alpha virt. eigenvalues --    2.14189   2.14902   2.16263   2.16618   2.17329
 Alpha virt. eigenvalues --    2.18940   2.19094   2.20266   2.21265   2.22232
 Alpha virt. eigenvalues --    2.23238   2.24789   2.25143   2.26496   2.26959
 Alpha virt. eigenvalues --    2.28108   2.29312   2.30700   2.32402   2.32894
 Alpha virt. eigenvalues --    2.34188   2.35079   2.37846   2.39356   2.39664
 Alpha virt. eigenvalues --    2.41116   2.41904   2.42661   2.43786   2.45191
 Alpha virt. eigenvalues --    2.46360   2.48522   2.49213   2.50660   2.51232
 Alpha virt. eigenvalues --    2.53038   2.55217   2.57918   2.59526   2.60887
 Alpha virt. eigenvalues --    2.62089   2.63878   2.67333   2.68175   2.70127
 Alpha virt. eigenvalues --    2.70736   2.72223   2.72926   2.74946   2.78405
 Alpha virt. eigenvalues --    2.78933   2.81341   2.82038   2.84370   2.87966
 Alpha virt. eigenvalues --    2.89099   2.90927   2.92968   2.96866   2.97383
 Alpha virt. eigenvalues --    3.01367   3.04227   3.07862   3.13179   3.15017
 Alpha virt. eigenvalues --    3.16859   3.27444   3.37164   3.38768   3.42837
 Alpha virt. eigenvalues --    3.45759   3.47645   3.48878   3.49131   3.50605
 Alpha virt. eigenvalues --    3.52776   3.53765   3.56693   3.58821   3.58891
 Alpha virt. eigenvalues --    3.59937   3.62149   3.65846   3.74607   3.77696
 Alpha virt. eigenvalues --    3.81261   3.86605   3.89343   3.96905   4.11115
 Alpha virt. eigenvalues --    4.42633   4.70330
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   29.187092  -3.676952  -9.783108   2.157859  -2.663997   0.817272
     2  C   -3.676952  23.301285   3.048092  -2.147164   1.183551  -6.382488
     3  C   -9.783108   3.048092  30.954004  -8.717406  -1.849751  -0.018194
     4  C    2.157859  -2.147164  -8.717406  20.759042  -6.129256   0.171249
     5  C   -2.663997   1.183551  -1.849751  -6.129256  26.021622 -10.238186
     6  C    0.817272  -6.382488  -0.018194   0.171249 -10.238186  26.821540
     7  C  -12.263378   1.780042  -5.069350   1.791519  -2.657786   2.791445
     8  H    1.011424  -0.992829  -4.700466   1.272264   0.513517  -0.107143
     9  H   -0.024130  -0.344581   0.277852   0.504133  -2.915967   1.629897
    10  H   -0.736050   0.439714  -0.137106  -0.247555   2.399531  -3.553531
    11  C    0.363527  -0.599641  -1.584860  -1.587421  -1.859298   0.070462
    12  C    0.060564   0.088268  -0.361487  -0.192723  -0.106951  -0.124586
    13  C    0.057655  -0.144748  -0.540947  -0.133234   0.019860  -0.008264
    14  H   -0.089698  -0.066837   0.162963  -0.160441   0.084628   0.109503
    15  H    0.038896  -0.039690  -0.012369  -0.585517  -0.014225   0.015746
    16  H   -0.035925   0.004490   0.315480  -0.357330  -0.027292   0.022106
    17  H   -0.029701   0.027917  -0.112381   0.598104   0.015717  -0.030013
    18  O   -0.010094   0.011172   0.045049  -0.014697   0.011270  -0.007059
    19  O    0.000641   0.009009   0.024063  -0.096111  -0.017690  -0.008193
    20  H    0.019613  -0.065247  -0.000535   0.010594  -0.091848   0.071662
    21  C    4.552358  -6.498480   0.894255  -0.412410   1.263866  -1.650689
    22  C   -5.859400   0.898907  -0.609096   0.466849   0.178152   0.779023
    23  C    2.154155  -4.616824   1.518853  -1.564750   2.831252  -6.201150
    24  O    0.156675   0.093928  -0.006218   0.027291  -0.029932  -0.079052
    25  C   -0.310788   0.078226  -0.020986   0.002623   0.024113   0.044772
    26  H    1.699615  -0.540451   0.309365   0.002891   0.040593  -0.133420
    27  H   -0.413124   0.235447  -0.124235   0.021947   0.009709   0.042048
    28  H   -0.521637   0.237217   0.027050  -0.050505   0.234104   0.151679
    29  H    0.019662  -0.109319  -0.001153  -0.001538   0.006916   0.012696
    30  H   -0.020843   0.073982  -0.001717   0.003897  -0.015539  -0.001684
    31  H   -0.034412   0.070803   0.000562   0.002235  -0.010025   0.000008
               7          8          9         10         11         12
     1  C  -12.263378   1.011424  -0.024130  -0.736050   0.363527   0.060564
     2  C    1.780042  -0.992829  -0.344581   0.439714  -0.599641   0.088268
     3  C   -5.069350  -4.700466   0.277852  -0.137106  -1.584860  -0.361487
     4  C    1.791519   1.272264   0.504133  -0.247555  -1.587421  -0.192723
     5  C   -2.657786   0.513517  -2.915967   2.399531  -1.859298  -0.106951
     6  C    2.791445  -0.107143   1.629897  -3.553531   0.070462  -0.124586
     7  C   35.055993   0.720714   0.111239  -0.216726  -0.046924   0.003030
     8  H    0.720714   4.421568  -0.032297   0.005932   0.065494   0.119252
     9  H    0.111239  -0.032297   3.335137  -0.292234  -0.029289   0.010033
    10  H   -0.216726   0.005932  -0.292234   3.217925   0.063228   0.006451
    11  C   -0.046924   0.065494  -0.029289   0.063228  12.880212   0.194295
    12  C    0.003030   0.119252   0.010033   0.006451   0.194295   4.898564
    13  C    0.077220   0.138293   0.010633   0.001854  -0.613145  -0.045526
    14  H    0.024308   0.008026  -0.039128   0.006886  -0.960361   0.079643
    15  H    0.016874  -0.064400   0.002590   0.001062   0.699965   0.006353
    16  H   -0.018842  -0.106242  -0.002530   0.001794  -0.221517   0.413018
    17  H    0.003001   0.030440   0.002649  -0.000712  -0.146082   0.000360
    18  O   -0.004200  -0.001069  -0.005116   0.000263  -0.112438   0.064067
    19  O   -0.003670  -0.007705  -0.002473  -0.000184   0.097677   0.032518
    20  H    0.029488  -0.022813   0.005559  -0.001592   0.041318  -0.027730
    21  C  -15.582001   0.247750   0.017707   0.033260   0.020124  -0.036633
    22  C    6.063261   0.057064  -0.025857   0.186131   0.000021   0.022049
    23  C   -5.540285  -0.149610  -0.218228   0.909262  -0.213721  -0.009518
    24  O   -0.216764   0.000052  -0.000206   0.001732   0.000047  -0.000073
    25  C    0.446530   0.000254  -0.000686   0.012724   0.000341   0.000087
    26  H   -4.418719  -0.255343   0.006063  -0.007399   0.030315  -0.008291
    27  H    1.734575  -0.003003  -0.001519   0.006958   0.000842   0.000018
    28  H   -0.139050   0.010677   0.009330  -0.199778  -0.002321  -0.000993
    29  H   -0.005910   0.000229   0.000121  -0.001235  -0.000005  -0.000012
    30  H    0.031972  -0.000483  -0.000437   0.002524   0.000183   0.000032
    31  H    0.038279  -0.000442  -0.000351   0.002173  -0.000029   0.000083
              13         14         15         16         17         18
     1  C    0.057655  -0.089698   0.038896  -0.035925  -0.029701  -0.010094
     2  C   -0.144748  -0.066837  -0.039690   0.004490   0.027917   0.011172
     3  C   -0.540947   0.162963  -0.012369   0.315480  -0.112381   0.045049
     4  C   -0.133234  -0.160441  -0.585517  -0.357330   0.598104  -0.014697
     5  C    0.019860   0.084628  -0.014225  -0.027292   0.015717   0.011270
     6  C   -0.008264   0.109503   0.015746   0.022106  -0.030013  -0.007059
     7  C    0.077220   0.024308   0.016874  -0.018842   0.003001  -0.004200
     8  H    0.138293   0.008026  -0.064400  -0.106242   0.030440  -0.001069
     9  H    0.010633  -0.039128   0.002590  -0.002530   0.002649  -0.005116
    10  H    0.001854   0.006886   0.001062   0.001794  -0.000712   0.000263
    11  C   -0.613145  -0.960361   0.699965  -0.221517  -0.146082  -0.112438
    12  C   -0.045526   0.079643   0.006353   0.413018   0.000360   0.064067
    13  C    6.501628   0.081761   0.047228  -0.050936   0.006539   0.212890
    14  H    0.081761   2.049299  -0.020631   0.109150  -0.073525   0.068424
    15  H    0.047228  -0.020631   1.747237  -0.217224  -0.425157  -0.001080
    16  H   -0.050936   0.109150  -0.217224   1.554308  -0.432664   0.019139
    17  H    0.006539  -0.073525  -0.425157  -0.432664   1.854402  -0.001179
    18  O    0.212890   0.068424  -0.001080   0.019139  -0.001179   8.360828
    19  O   -0.247627   0.036850   0.000945   0.042356  -0.019231  -0.076319
    20  H   -0.039200   0.002903   0.003390  -0.000544  -0.000363   0.013445
    21  C    0.031058  -0.002810  -0.010435  -0.010788   0.003281  -0.000311
    22  C   -0.012205   0.001062   0.004375   0.000799  -0.000740   0.000041
    23  C   -0.065555  -0.014929  -0.007586  -0.000479   0.001541   0.002539
    24  O    0.000044  -0.000028   0.000016   0.000008  -0.000007  -0.000000
    25  C   -0.000165   0.000104   0.000068   0.000011  -0.000019   0.000000
    26  H   -0.002403  -0.002674   0.003508  -0.000870  -0.000794  -0.000078
    27  H    0.000084   0.000079  -0.000277   0.000010   0.000154   0.000009
    28  H    0.000627  -0.000722  -0.000549  -0.000588   0.000276   0.000003
    29  H   -0.000001  -0.000002   0.000002  -0.000002  -0.000002   0.000000
    30  H   -0.000022   0.000038   0.000014   0.000010  -0.000002  -0.000000
    31  H   -0.000039   0.000015   0.000012   0.000011   0.000001   0.000000
              19         20         21         22         23         24
     1  C    0.000641   0.019613   4.552358  -5.859400   2.154155   0.156675
     2  C    0.009009  -0.065247  -6.498480   0.898907  -4.616824   0.093928
     3  C    0.024063  -0.000535   0.894255  -0.609096   1.518853  -0.006218
     4  C   -0.096111   0.010594  -0.412410   0.466849  -1.564750   0.027291
     5  C   -0.017690  -0.091848   1.263866   0.178152   2.831252  -0.029932
     6  C   -0.008193   0.071662  -1.650689   0.779023  -6.201150  -0.079052
     7  C   -0.003670   0.029488 -15.582001   6.063261  -5.540285  -0.216764
     8  H   -0.007705  -0.022813   0.247750   0.057064  -0.149610   0.000052
     9  H   -0.002473   0.005559   0.017707  -0.025857  -0.218228  -0.000206
    10  H   -0.000184  -0.001592   0.033260   0.186131   0.909262   0.001732
    11  C    0.097677   0.041318   0.020124   0.000021  -0.213721   0.000047
    12  C    0.032518  -0.027730  -0.036633   0.022049  -0.009518  -0.000073
    13  C   -0.247627  -0.039200   0.031058  -0.012205  -0.065555   0.000044
    14  H    0.036850   0.002903  -0.002810   0.001062  -0.014929  -0.000028
    15  H    0.000945   0.003390  -0.010435   0.004375  -0.007586   0.000016
    16  H    0.042356  -0.000544  -0.010788   0.000799  -0.000479   0.000008
    17  H   -0.019231  -0.000363   0.003281  -0.000740   0.001541  -0.000007
    18  O   -0.076319   0.013445  -0.000311   0.000041   0.002539  -0.000000
    19  O    8.489233   0.189850  -0.003143   0.001380  -0.001235  -0.000017
    20  H    0.189850   0.693445  -0.004985   0.003811  -0.014646   0.000080
    21  C   -0.003143  -0.004985  27.550047  -6.852576   3.115956  -0.085887
    22  C    0.001380   0.003811  -6.852576  16.452668  -6.085938  -0.727942
    23  C   -0.001235  -0.014646   3.115956  -6.085938  20.621350   0.558074
    24  O   -0.000017   0.000080  -0.085887  -0.727942   0.558074   9.275406
    25  C    0.000031  -0.000019  -0.420910   0.137608  -0.171189   0.164885
    26  H    0.000472  -0.000184   2.627410  -0.873662   0.342044  -0.003870
    27  H   -0.000043  -0.000005  -2.929928   1.088830  -0.261064  -0.122186
    28  H    0.000090  -0.000517   0.414580   1.210240  -2.942419  -0.187793
    29  H    0.000006  -0.000021   0.015560   0.232399  -0.011642  -0.362225
    30  H   -0.000010   0.000070  -0.040439  -0.085734   0.026945   0.106525
    31  H   -0.000003   0.000001  -0.033587  -0.067748   0.004836   0.102765
              25         26         27         28         29         30
     1  C   -0.310788   1.699615  -0.413124  -0.521637   0.019662  -0.020843
     2  C    0.078226  -0.540451   0.235447   0.237217  -0.109319   0.073982
     3  C   -0.020986   0.309365  -0.124235   0.027050  -0.001153  -0.001717
     4  C    0.002623   0.002891   0.021947  -0.050505  -0.001538   0.003897
     5  C    0.024113   0.040593   0.009709   0.234104   0.006916  -0.015539
     6  C    0.044772  -0.133420   0.042048   0.151679   0.012696  -0.001684
     7  C    0.446530  -4.418719   1.734575  -0.139050  -0.005910   0.031972
     8  H    0.000254  -0.255343  -0.003003   0.010677   0.000229  -0.000483
     9  H   -0.000686   0.006063  -0.001519   0.009330   0.000121  -0.000437
    10  H    0.012724  -0.007399   0.006958  -0.199778  -0.001235   0.002524
    11  C    0.000341   0.030315   0.000842  -0.002321  -0.000005   0.000183
    12  C    0.000087  -0.008291   0.000018  -0.000993  -0.000012   0.000032
    13  C   -0.000165  -0.002403   0.000084   0.000627  -0.000001  -0.000022
    14  H    0.000104  -0.002674   0.000079  -0.000722  -0.000002   0.000038
    15  H    0.000068   0.003508  -0.000277  -0.000549   0.000002   0.000014
    16  H    0.000011  -0.000870   0.000010  -0.000588  -0.000002   0.000010
    17  H   -0.000019  -0.000794   0.000154   0.000276  -0.000002  -0.000002
    18  O    0.000000  -0.000078   0.000009   0.000003   0.000000  -0.000000
    19  O    0.000031   0.000472  -0.000043   0.000090   0.000006  -0.000010
    20  H   -0.000019  -0.000184  -0.000005  -0.000517  -0.000021   0.000070
    21  C   -0.420910   2.627410  -2.929928   0.414580   0.015560  -0.040439
    22  C    0.137608  -0.873662   1.088830   1.210240   0.232399  -0.085734
    23  C   -0.171189   0.342044  -0.261064  -2.942419  -0.011642   0.026945
    24  O    0.164885  -0.003870  -0.122186  -0.187793  -0.362225   0.106525
    25  C    4.184762  -0.010335   0.046651  -0.033764   0.254051   0.316770
    26  H   -0.010335   3.364014  -0.203088   0.009288  -0.000018  -0.001159
    27  H    0.046651  -0.203088   2.713181  -0.042829  -0.008579   0.009102
    28  H   -0.033764   0.009288  -0.042829   4.053736   0.047552  -0.074275
    29  H    0.254051  -0.000018  -0.008579   0.047552   2.265606  -0.449526
    30  H    0.316770  -0.001159   0.009102  -0.074275  -0.449526   1.302553
    31  H    0.318113  -0.001103   0.009299  -0.068797  -0.450597  -0.096866
              31
     1  C   -0.034412
     2  C    0.070803
     3  C    0.000562
     4  C    0.002235
     5  C   -0.010025
     6  C    0.000008
     7  C    0.038279
     8  H   -0.000442
     9  H   -0.000351
    10  H    0.002173
    11  C   -0.000029
    12  C    0.000083
    13  C   -0.000039
    14  H    0.000015
    15  H    0.000012
    16  H    0.000011
    17  H    0.000001
    18  O    0.000000
    19  O   -0.000003
    20  H    0.000001
    21  C   -0.033587
    22  C   -0.067748
    23  C    0.004836
    24  O    0.102765
    25  C    0.318113
    26  H   -0.001103
    27  H    0.009299
    28  H   -0.068797
    29  H   -0.450597
    30  H   -0.096866
    31  H    1.303284
 Mulliken charges:
               1
     1  C    0.176228
     2  C    0.643204
     3  C    2.073778
     4  C    0.605563
     5  C   -0.210656
     6  C    0.992545
     7  C    1.464113
     8  H   -1.179105
     9  H   -0.987915
    10  H   -0.905301
    11  C   -0.550997
    12  C    0.915836
    13  C    0.716642
    14  H   -0.393859
    15  H   -0.189142
    16  H    0.001083
    17  H   -0.271810
    18  O   -0.575500
    19  O   -0.441468
    20  H    0.185021
    21  C   -0.211199
    22  C   -0.583770
    23  C    2.003963
    24  O   -0.665327
    25  C    0.936134
    26  H   -0.971715
    27  H   -0.809063
    28  H   -1.139912
    29  H   -0.453012
    30  H   -0.085882
    31  H   -0.088479
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.176228
     2  C    0.643204
     3  C    0.894673
     4  C    0.605563
     5  C   -1.198571
     6  C    0.087244
     7  C    0.492398
    11  C   -0.944855
    12  C    0.455967
    13  C    0.716642
    18  O   -0.575500
    19  O   -0.256447
    21  C   -1.020262
    22  C   -0.583770
    23  C    0.864051
    24  O   -0.665327
    25  C    0.308762
 Electronic spatial extent (au):  <R**2>=           5435.8482
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.4105    Y=              0.3366    Z=             -2.0082  Tot=              5.7810
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -115.3218   YY=            -90.6748   ZZ=           -105.1106
   XY=            -14.0530   XZ=             10.5659   YZ=              3.1754
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -11.6194   YY=             13.0276   ZZ=             -1.4082
   XY=            -14.0530   XZ=             10.5659   YZ=              3.1754
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            222.2672  YYY=             -0.2601  ZZZ=              4.2524  XYY=              9.8830
  XXY=             -1.2055  XXZ=            -45.3906  XZZ=              3.0397  YZZ=             -0.2743
  YYZ=              1.5069  XYZ=             -5.3578
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6325.6829 YYYY=           -770.2751 ZZZZ=           -419.0822 XXXY=           -384.5575
 XXXZ=            201.3094 YYYX=             17.3993 YYYZ=             17.9572 ZZZX=              9.9502
 ZZZY=             -5.2115 XXYY=          -1070.9946 XXZZ=          -1104.5930 YYZZ=           -211.6193
 XXYZ=             28.0730 YYXZ=              7.2231 ZZXY=             -9.9524
 N-N= 1.136386951225D+03 E-N=-4.060249693834D+03  KE= 7.630521649020D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 20:48:51 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.14227647D+00 1.25065099D-01-7.66617786D-01
 Polarizability= 2.74091663D+02 6.13465605D+00 1.61835153D+02
                 1.39699954D+01 7.79260517D+00 1.11052563D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.7021   -7.7041        4.1922    4.1978
 2      7.7021    7.7041       -4.2737   -4.2738      -61.4653  -61.4665
 3     -4.1922   -4.1978       88.6516   88.6462        4.2720    4.2738
 4      4.2737    4.2738       -0.0000    0.0000       -4.1910   -4.1978
 5    -27.1863  -27.1798        4.1910    4.1978       -7.7041   -7.7041
 6     -4.2720   -4.2738        7.7041    7.7041       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       23.1124   23.1124       12.5935   12.5935
 2     12.8215   12.8215       -0.0000    0.0000       12.5935   12.5935
 3     12.8215   12.8215       23.1124   23.1124       -0.0000    0.0000
 4     23.1124   23.1124      -12.8215  -12.8215     -184.3994 -184.3994
 5    -12.5935  -12.5935      265.9386  265.9386       12.8215   12.8215
 6    -81.5393  -81.5393       12.5935   12.5935      -23.1124  -23.1124
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0455    0.0000       29.9311   30.8165      -16.1148  -16.7913
 2    -31.3954  -30.8165       16.6042   17.0953      246.0294  245.8659
 3     16.4642   16.7913     -353.3583 -354.5849      -16.9551  -17.0953
 4    -16.6753  -17.0953        0.2659    0.0000       17.0466   16.7913
 5    108.7906  108.7190      -16.8121  -16.7913       30.8193   30.8165
 6     16.9643   17.0953      -31.0460  -30.8165        0.2430    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3059    0.0000       40.8003   41.0609      -35.3009  -34.6310
 2    -40.9751  -41.0609      -72.3722  -72.2185      -36.8862  -36.8761
 3     34.7993   34.6310      -36.3401  -37.1721       73.7361   72.2185
 4     72.3438   72.2185        0.3439    0.0000       35.0930   34.6310
 5     73.8038   74.0481      -34.8618  -34.6310       40.3393   41.0609
 6    -72.6628  -72.2185      -41.0610  -41.0609        0.1374    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     40.4588   40.6776       47.3833   47.2392       53.5103   52.2559
 2    161.5035  160.9420       54.2837   53.9243       53.3570   52.2559
 3    161.4191  160.9420       47.6621   47.2392       86.6684   85.2192
 4     -6.5971   -6.6851     -118.4148 -120.2643      -54.6403  -54.4801
 5     33.4132   32.9633      -72.0587  -72.6122      120.7458  120.2643
 6    126.3128  127.0924      -34.4209  -32.9633        7.9589    6.6851
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9494   -0.0004    0.0006    0.0009    2.6919    3.8301
 Low frequencies ---   22.5785   40.0282   43.4220
 Diagonal vibrational polarizability:
       54.2745299     157.2293134      89.6418123
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.5745                40.0267                43.4213
 Red. masses --      4.6231                 7.2151                 5.8994
 Frc consts  --      0.0014                 0.0068                 0.0066
 IR Inten    --      3.5998                 2.3701                 1.0576
 RamAct Fr= 1--      3.9791                 1.7741                 1.5270
  Dep-P Fr= 1--      0.7499                 0.7388                 0.7379
  Dep-U Fr= 1--      0.8571                 0.8498                 0.8492
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0003
 Beta2  Fr= 1--      0.5684                 0.2513                 0.2161
 AlphaG Fr= 1--     -0.0001                -0.0046                 0.0082
 Gamma2 Fr= 1--     -2.7198                 2.3147                -1.8570
 Delta2 Fr= 1--     -1.8891                 1.5567                -0.6178
 Raman1 Fr= 1--      15.916                  7.096                  6.108
 ROA1   Fr= 1--    -321.555                272.027               -198.045
 CID1   Fr= 1--     -20.203                 38.334                -32.423
 Raman2 Fr= 1--       6.821                  3.015                  2.593
 ROA2   Fr= 1--     -50.163                 43.099                -39.626
 CID2   Fr= 1--      -7.354                 14.294                -15.280
 Raman3 Fr= 1--      13.642                  6.030                  5.187
 ROA3   Fr= 1--    -321.555                272.027               -198.045
 CID3   Fr= 1--     -23.571                 45.110                -38.183
 RC180  Fr= 1--       0.714                  0.700                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.06    -0.02   0.01  -0.08     0.01  -0.03   0.12
     2   6     0.01  -0.02  -0.05    -0.02   0.01  -0.11     0.01  -0.02   0.08
     3   6    -0.03  -0.07   0.06    -0.02   0.02  -0.08     0.01  -0.03   0.11
     4   6    -0.00  -0.07  -0.02    -0.02   0.02  -0.10     0.01  -0.02   0.07
     5   6     0.03  -0.04  -0.12    -0.02   0.03  -0.17     0.01  -0.02   0.07
     6   6     0.04  -0.02  -0.13    -0.02   0.03  -0.18     0.01  -0.02   0.08
     7   6    -0.05  -0.05   0.15    -0.02  -0.01  -0.01     0.01  -0.03   0.13
     8   1    -0.05  -0.09   0.14    -0.02   0.01  -0.05     0.01  -0.02   0.10
     9   1     0.06  -0.04  -0.19    -0.02   0.04  -0.20     0.01  -0.02   0.06
    10   1     0.07   0.01  -0.21    -0.02   0.04  -0.22     0.01  -0.02   0.06
    11   6    -0.00  -0.09  -0.00    -0.03   0.00  -0.00     0.02  -0.01  -0.02
    12   6    -0.01  -0.15  -0.20    -0.08   0.00   0.06     0.06  -0.00  -0.05
    13   6     0.01   0.09   0.06     0.11  -0.02   0.06    -0.05   0.01  -0.06
    14   1    -0.02  -0.19   0.10    -0.08   0.00   0.02     0.06  -0.01  -0.03
    15   1    -0.02  -0.29  -0.25    -0.15   0.02   0.03     0.13  -0.01  -0.02
    16   1     0.01  -0.04  -0.32    -0.03  -0.01   0.05     0.01  -0.00  -0.04
    17   1    -0.01  -0.16  -0.18    -0.09  -0.01   0.13     0.07   0.01  -0.13
    18   8    -0.03   0.23   0.13     0.19  -0.29   0.15     0.01  -0.21  -0.13
    19   8     0.07   0.08   0.02     0.11   0.32   0.02    -0.20   0.31   0.00
    20   1     0.09  -0.02  -0.03     0.06   0.45  -0.05    -0.21   0.40   0.06
    21   6    -0.05  -0.02   0.14    -0.03  -0.02   0.05     0.01  -0.02   0.07
    22   6    -0.01   0.01   0.03    -0.04  -0.02   0.04     0.02  -0.01  -0.00
    23   6     0.02   0.01  -0.06    -0.03  -0.00  -0.06     0.02  -0.01   0.02
    24   8    -0.01   0.03   0.03    -0.05  -0.05   0.13     0.03   0.01  -0.10
    25   6     0.02   0.06  -0.08    -0.06  -0.06   0.17     0.05   0.03  -0.26
    26   1    -0.08  -0.07   0.23    -0.02  -0.01   0.01     0.00  -0.04   0.17
    27   1    -0.07  -0.02   0.21    -0.03  -0.04   0.11     0.01  -0.02   0.07
    28   1     0.04   0.03  -0.14    -0.03  -0.00  -0.08     0.02  -0.00  -0.03
    29   1     0.02   0.08  -0.07    -0.07  -0.08   0.27     0.06   0.05  -0.35
    30   1     0.04   0.15  -0.12     0.02  -0.05   0.15    -0.04   0.11  -0.28
    31   1     0.05  -0.01  -0.15    -0.14  -0.06   0.13     0.15  -0.04  -0.28
                      4                      5                      6
                      A                      A                      A
 Frequencies --     93.6375               129.7645               139.6709
 Red. masses --      3.9517                 4.2292                 4.4268
 Frc consts  --      0.0204                 0.0420                 0.0509
 IR Inten    --      3.4199                 0.3147                 0.0590
 RamAct Fr= 1--      1.8362                 0.2783                 0.4660
  Dep-P Fr= 1--      0.6850                 0.4914                 0.3810
  Dep-U Fr= 1--      0.8130                 0.6590                 0.5517
 Alpha2 Fr= 1--      0.0021                 0.0014                 0.0037
 Beta2  Fr= 1--      0.2488                 0.0306                 0.0429
 AlphaG Fr= 1--     -0.0039                -0.0106                -0.0182
 Gamma2 Fr= 1--      0.0589                 0.6012                -1.2852
 Delta2 Fr= 1--     -0.3084                 0.5031                -0.5378
 Raman1 Fr= 1--       7.345                  1.113                  1.864
 ROA1   Fr= 1--      -4.216                 73.814               -140.586
 CID1   Fr= 1--      -0.574                 66.307                -75.424
 Raman2 Fr= 1--       2.986                  0.367                  0.514
 ROA2   Fr= 1--       3.881                 10.404                -26.542
 CID2   Fr= 1--       1.300                 28.363                -51.618
 Raman3 Fr= 1--       5.972                  0.734                  1.028
 ROA3   Fr= 1--      -4.216                 73.814               -140.586
 CID3   Fr= 1--      -0.706                100.619               -136.702
 RC180  Fr= 1--       0.626                  0.318                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.03     0.01  -0.07  -0.12     0.05   0.10  -0.09
     2   6     0.04   0.01  -0.09     0.03  -0.06  -0.10     0.04   0.10  -0.10
     3   6     0.00  -0.04   0.13     0.01  -0.08  -0.08     0.02   0.09  -0.01
     4   6     0.01  -0.03   0.09    -0.01  -0.09   0.00     0.02   0.06   0.09
     5   6     0.03  -0.01  -0.03     0.00  -0.09   0.00     0.03   0.06   0.07
     6   6     0.04   0.01  -0.12     0.02  -0.07  -0.07     0.04   0.09  -0.04
     7   6     0.01  -0.01   0.02    -0.03  -0.04  -0.12     0.09   0.07  -0.09
     8   1    -0.01  -0.05   0.21     0.03  -0.08  -0.10     0.01   0.08  -0.01
     9   1     0.04  -0.00  -0.07     0.00  -0.10   0.05     0.02   0.05   0.14
    10   1     0.05   0.03  -0.22     0.01  -0.07  -0.07     0.04   0.09  -0.06
    11   6     0.01  -0.02   0.06    -0.00   0.00   0.04     0.00  -0.05   0.07
    12   6     0.05  -0.02   0.03     0.12   0.09   0.18    -0.10  -0.14  -0.10
    13   6    -0.08   0.01   0.02    -0.05   0.03   0.02    -0.06  -0.03   0.05
    14   1     0.03  -0.02   0.05    -0.07   0.09  -0.01     0.09  -0.14   0.11
    15   1     0.11  -0.03   0.05     0.18   0.18   0.24    -0.14  -0.24  -0.15
    16   1     0.02  -0.02   0.04     0.13  -0.02   0.29    -0.14  -0.02  -0.20
    17   1     0.06  -0.00  -0.03     0.12   0.19   0.13    -0.10  -0.24  -0.08
    18   8    -0.08   0.01  -0.05    -0.07   0.07  -0.01    -0.06  -0.04  -0.02
    19   8    -0.16   0.04   0.07    -0.09   0.06   0.04    -0.13  -0.04   0.09
    20   1    -0.14   0.02   0.12    -0.08   0.01   0.07    -0.12  -0.02   0.14
    21   6     0.02   0.01  -0.07    -0.04  -0.02  -0.01     0.08   0.02  -0.00
    22   6     0.04   0.02  -0.13    -0.01  -0.01   0.05     0.05  -0.00   0.03
    23   6     0.05   0.03  -0.16     0.04  -0.03  -0.04     0.02   0.05  -0.08
    24   8     0.04   0.03  -0.12    -0.03   0.05   0.21     0.02  -0.11   0.20
    25   6     0.01  -0.03   0.26     0.11   0.15  -0.05    -0.03  -0.11  -0.09
    26   1    -0.00  -0.03   0.09    -0.06  -0.05  -0.16     0.13   0.09  -0.11
    27   1     0.02   0.01  -0.06    -0.07  -0.01   0.02     0.09  -0.00   0.04
    28   1     0.06   0.04  -0.22     0.08  -0.02  -0.01    -0.02   0.04  -0.08
    29   1    -0.01  -0.04   0.40     0.08   0.23   0.04    -0.03  -0.21   0.03
    30   1     0.17  -0.24   0.32     0.19   0.36  -0.15     0.01   0.18  -0.21
    31   1    -0.16   0.16   0.35     0.16  -0.06  -0.23    -0.11  -0.29  -0.31
                      7                      8                      9
                      A                      A                      A
 Frequencies --    185.7135               200.8183               221.2886
 Red. masses --      3.3060                 3.1800                 2.1956
 Frc consts  --      0.0672                 0.0756                 0.0633
 IR Inten    --      1.2762                 1.1281                 3.0200
 RamAct Fr= 1--      0.4467                 6.7660                 1.3619
  Dep-P Fr= 1--      0.2149                 0.3203                 0.7376
  Dep-U Fr= 1--      0.3538                 0.4852                 0.8490
 Alpha2 Fr= 1--      0.0058                 0.0652                 0.0003
 Beta2  Fr= 1--      0.0263                 0.5471                 0.1927
 AlphaG Fr= 1--     -0.0082                 0.0333                -0.0046
 Gamma2 Fr= 1--      1.3759                -1.0240                 0.2319
 Delta2 Fr= 1--      0.0953                -0.5137                 0.3397
 Raman1 Fr= 1--       1.787                 27.064                  5.447
 ROA1   Fr= 1--     135.135               -114.749                 33.134
 CID1   Fr= 1--      75.633                 -4.240                  6.083
 Raman2 Fr= 1--       0.316                  6.566                  2.312
 ROA2   Fr= 1--      32.259                -20.467                  2.848
 CID2   Fr= 1--     102.068                 -3.117                  1.232
 Raman3 Fr= 1--       0.632                 13.131                  4.625
 ROA3   Fr= 1--     135.135               -114.749                 33.134
 CID3   Fr= 1--     213.781                 -8.739                  7.164
 RC180  Fr= 1--      -0.292                 -0.030                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.08     0.02  -0.02  -0.03    -0.02  -0.03   0.08
     2   6     0.00   0.02  -0.10     0.00  -0.04  -0.01    -0.03  -0.03   0.02
     3   6     0.01   0.02  -0.12     0.02   0.05  -0.06    -0.02  -0.00   0.13
     4   6    -0.00  -0.01   0.01    -0.04   0.08  -0.02    -0.02   0.03   0.05
     5   6    -0.03  -0.05   0.22    -0.06   0.07   0.01    -0.05   0.02   0.02
     6   6    -0.02  -0.03   0.11    -0.06   0.01   0.01    -0.05  -0.01   0.03
     7   6    -0.03  -0.01   0.10     0.05  -0.06   0.03    -0.01  -0.01  -0.02
     8   1     0.02   0.03  -0.21     0.08   0.08  -0.07    -0.00  -0.00   0.18
     9   1    -0.06  -0.09   0.44    -0.08   0.08   0.04    -0.07   0.04  -0.00
    10   1    -0.03  -0.04   0.23    -0.13  -0.02   0.03    -0.08  -0.01   0.00
    11   6     0.01   0.01  -0.02    -0.06   0.05   0.00    -0.01   0.06  -0.01
    12   6     0.04   0.02  -0.01    -0.20  -0.01  -0.03     0.05   0.05  -0.11
    13   6     0.02   0.00  -0.02    -0.04   0.01   0.01     0.02   0.02  -0.00
    14   1     0.00   0.02  -0.03    -0.03   0.01   0.02     0.01   0.04   0.00
    15   1     0.07   0.03   0.00    -0.38  -0.07  -0.14     0.07  -0.06  -0.13
    16   1     0.02   0.01   0.00    -0.10   0.07  -0.14     0.08   0.10  -0.17
    17   1     0.04   0.04  -0.05    -0.22  -0.09   0.16     0.05   0.09  -0.12
    18   8     0.03  -0.00  -0.00    -0.03  -0.02   0.01     0.05  -0.06   0.01
    19   8     0.05  -0.01  -0.03    -0.03  -0.01   0.01     0.06  -0.04  -0.02
    20   1     0.04   0.00  -0.05    -0.04   0.02   0.01     0.04   0.01  -0.03
    21   6    -0.04  -0.02   0.18     0.03  -0.09   0.05    -0.00  -0.01  -0.11
    22   6    -0.01   0.02  -0.05     0.04  -0.08  -0.00    -0.02  -0.02  -0.05
    23   6     0.01   0.04  -0.21     0.02  -0.08  -0.01    -0.02  -0.02  -0.06
    24   8    -0.01   0.01  -0.04     0.05   0.02  -0.04    -0.03  -0.00   0.07
    25   6    -0.04  -0.01   0.03     0.25   0.11   0.06     0.05   0.05   0.00
    26   1    -0.05  -0.04   0.23     0.07  -0.05   0.06    -0.00  -0.01  -0.04
    27   1    -0.06  -0.06   0.38     0.04  -0.11   0.10     0.02  -0.00  -0.19
    28   1     0.03   0.07  -0.32     0.02  -0.08  -0.02    -0.01  -0.02  -0.09
    29   1    -0.06  -0.07   0.25     0.22   0.31   0.02    -0.02   0.04   0.47
    30   1     0.15   0.03  -0.02     0.29  -0.01   0.10     0.45   0.30  -0.16
    31   1    -0.22  -0.02  -0.07     0.39   0.12   0.14    -0.21  -0.15  -0.32
                     10                     11                     12
                      A                      A                      A
 Frequencies --    243.4690               259.8337               283.3964
 Red. masses --      1.8273                 1.1420                 2.3750
 Frc consts  --      0.0638                 0.0454                 0.1124
 IR Inten    --      1.8810                 1.2080                 2.1068
 RamAct Fr= 1--      0.8668                 0.2495                 1.0902
  Dep-P Fr= 1--      0.5736                 0.7493                 0.5805
  Dep-U Fr= 1--      0.7290                 0.8567                 0.7346
 Alpha2 Fr= 1--      0.0029                 0.0000                 0.0035
 Beta2  Fr= 1--      0.1053                 0.0356                 0.1335
 AlphaG Fr= 1--     -0.0188                -0.0004                 0.0051
 Gamma2 Fr= 1--      0.9647                -0.0278                 1.0526
 Delta2 Fr= 1--     -0.1316                 0.0549                 0.3198
 Raman1 Fr= 1--       3.467                  0.998                  4.361
 ROA1   Fr= 1--      88.401                 -0.914                111.286
 CID1   Fr= 1--      25.496                 -0.915                 25.521
 Raman2 Fr= 1--       1.264                  0.428                  1.602
 ROA2   Fr= 1--      24.205                 -1.106                 22.705
 CID2   Fr= 1--      19.152                 -2.587                 14.176
 Raman3 Fr= 1--       2.528                  0.855                  3.203
 ROA3   Fr= 1--      88.401                 -0.914                111.286
 CID3   Fr= 1--      34.974                 -1.069                 34.742
 RC180  Fr= 1--       0.458                  0.713                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.01  -0.00    -0.01  -0.02   0.07
     2   6    -0.01  -0.00  -0.05     0.01  -0.01   0.02     0.01   0.00  -0.04
     3   6     0.01   0.01   0.00     0.01  -0.01  -0.03    -0.01  -0.03   0.13
     4   6    -0.01   0.01   0.04     0.01  -0.01  -0.03    -0.00  -0.01   0.03
     5   6    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.00  -0.02   0.07
     6   6    -0.03   0.00  -0.04     0.01  -0.01   0.01     0.00  -0.01   0.04
     7   6    -0.01  -0.00  -0.02    -0.01  -0.00   0.01    -0.00  -0.00   0.01
     8   1     0.02   0.02   0.01     0.02  -0.01  -0.04    -0.02  -0.04   0.17
     9   1    -0.05   0.02   0.05     0.02  -0.01  -0.03    -0.00  -0.03   0.10
    10   1    -0.04   0.00  -0.06     0.02  -0.01   0.02     0.00  -0.02   0.05
    11   6     0.01   0.05   0.04     0.01   0.01   0.01     0.00  -0.01  -0.05
    12   6     0.13   0.05  -0.12     0.01   0.01   0.02    -0.08  -0.01   0.06
    13   6     0.00   0.02   0.04    -0.00   0.00   0.01     0.02  -0.00  -0.06
    14   1    -0.01   0.03   0.07    -0.03   0.02   0.02     0.02   0.01  -0.08
    15   1     0.10  -0.18  -0.20    -0.40  -0.21  -0.26    -0.37  -0.01  -0.08
    16   1     0.30   0.15  -0.27     0.48   0.10  -0.22     0.14  -0.01  -0.01
    17   1     0.12   0.17  -0.04    -0.06   0.14   0.54    -0.12  -0.01   0.39
    18   8     0.03  -0.07   0.01    -0.00   0.00  -0.02     0.01   0.04  -0.03
    19   8    -0.01  -0.06   0.06    -0.03  -0.00   0.02     0.06   0.05  -0.10
    20   1    -0.02   0.01   0.09    -0.03   0.00   0.05     0.06   0.00  -0.15
    21   6    -0.02  -0.01   0.02    -0.01   0.01   0.01     0.01   0.02  -0.08
    22   6    -0.03  -0.01   0.01     0.00   0.02   0.01     0.01   0.02  -0.05
    23   6    -0.02  -0.01  -0.02     0.01   0.01   0.03     0.02   0.03  -0.13
    24   8    -0.03   0.01   0.02     0.00   0.01  -0.03    -0.01  -0.02   0.12
    25   6    -0.00   0.02   0.01    -0.04  -0.01  -0.01    -0.01  -0.01   0.01
    26   1    -0.02  -0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.02
    27   1    -0.02  -0.02   0.05    -0.01   0.02   0.01     0.01   0.03  -0.11
    28   1    -0.02  -0.02   0.01     0.02   0.01   0.02     0.03   0.03  -0.13
    29   1     0.05   0.13  -0.43    -0.05  -0.08   0.17     0.04   0.05  -0.41
    30   1    -0.35  -0.18   0.15     0.09   0.06  -0.06    -0.36  -0.11   0.10
    31   1     0.32   0.14   0.29    -0.19  -0.04  -0.11     0.28   0.05   0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    327.1611               356.2157               390.3588
 Red. masses --      4.9297                 4.3577                 5.2102
 Frc consts  --      0.3109                 0.3258                 0.4678
 IR Inten    --      7.2956                 6.8560                 3.0661
 RamAct Fr= 1--      9.8294                 1.6236                 2.4782
  Dep-P Fr= 1--      0.2587                 0.0708                 0.0844
  Dep-U Fr= 1--      0.4110                 0.1323                 0.1557
 Alpha2 Fr= 1--      0.1137                 0.0305                 0.0451
 Beta2  Fr= 1--      0.6734                 0.0358                 0.0643
 AlphaG Fr= 1--     -0.0386                 0.0564                 0.0848
 Gamma2 Fr= 1--     -2.3355                 0.7601                 0.8444
 Delta2 Fr= 1--     -0.2500                 0.1279                 0.2888
 Raman1 Fr= 1--      39.318                  6.494                  9.913
 ROA1   Fr= 1--    -232.213                 77.062                 90.301
 CID1   Fr= 1--      -5.906                 11.866                  9.110
 Raman2 Fr= 1--       8.080                  0.429                  0.772
 ROA2   Fr= 1--     -54.053                 17.218                 17.955
 CID2   Fr= 1--      -6.690                 40.093                 23.271
 Raman3 Fr= 1--      16.160                  0.859                  1.543
 ROA3   Fr= 1--    -232.213                 77.062                 90.301
 CID3   Fr= 1--     -14.369                 89.718                 58.521
 RC180  Fr= 1--      -0.178                 -0.735                 -0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.01     0.08  -0.15  -0.00     0.06  -0.02  -0.10
     2   6     0.00   0.10   0.02     0.12  -0.12  -0.00     0.03  -0.04  -0.10
     3   6    -0.08  -0.01  -0.02     0.07  -0.08  -0.00     0.05   0.03   0.13
     4   6    -0.09  -0.06  -0.01    -0.03   0.01  -0.02     0.01   0.03   0.26
     5   6     0.01  -0.02  -0.00     0.00  -0.00  -0.01    -0.03   0.03   0.17
     6   6     0.03   0.08   0.01     0.02  -0.07   0.00    -0.00   0.01  -0.21
     7   6     0.04   0.05   0.01     0.00  -0.09  -0.01     0.03  -0.00  -0.13
     8   1    -0.12  -0.03  -0.03     0.16  -0.04   0.02     0.11   0.05   0.13
     9   1     0.09  -0.08   0.00     0.01  -0.01  -0.01    -0.08   0.07   0.22
    10   1     0.08   0.10   0.01    -0.08  -0.11  -0.00    -0.04   0.02  -0.40
    11   6    -0.15  -0.07  -0.07    -0.09   0.14  -0.01     0.02  -0.02   0.02
    12   6     0.14   0.05  -0.01    -0.14   0.14  -0.10    -0.01  -0.04   0.03
    13   6    -0.17  -0.06  -0.03    -0.09   0.05   0.02    -0.03  -0.02  -0.07
    14   1    -0.15   0.01  -0.14    -0.10   0.14  -0.01     0.19  -0.01  -0.06
    15   1     0.16  -0.07  -0.05    -0.04   0.14  -0.05    -0.11  -0.05  -0.02
    16   1     0.43  -0.03  -0.03    -0.30   0.19  -0.10     0.05  -0.03  -0.00
    17   1     0.13   0.38   0.08    -0.12   0.04  -0.25    -0.02  -0.06   0.14
    18   8    -0.17  -0.08   0.23    -0.05  -0.07   0.11    -0.04  -0.00   0.01
    19   8     0.02   0.01  -0.17    -0.02  -0.04  -0.02     0.09   0.05  -0.17
    20   1    -0.01  -0.00  -0.35    -0.05   0.05  -0.05     0.08  -0.00  -0.31
    21   6     0.06   0.01   0.01     0.02   0.07   0.00    -0.02  -0.04   0.11
    22   6     0.08   0.00   0.01     0.09   0.10   0.02    -0.05  -0.04   0.15
    23   6     0.01   0.06   0.02     0.16   0.03   0.01    -0.01  -0.08   0.15
    24   8     0.10  -0.06  -0.00     0.10   0.10   0.04    -0.03   0.07  -0.12
    25   6     0.13  -0.07   0.00    -0.15  -0.02  -0.02    -0.08   0.05  -0.01
    26   1     0.11   0.07   0.03    -0.10  -0.13  -0.02     0.01   0.00  -0.24
    27   1     0.04   0.02   0.01    -0.06   0.14  -0.00     0.00  -0.06   0.12
    28   1    -0.04   0.04   0.01     0.24   0.06   0.02     0.01  -0.07   0.17
    29   1     0.12  -0.04   0.02    -0.10  -0.27  -0.08    -0.09  -0.01   0.14
    30   1     0.15  -0.07   0.00    -0.31   0.04  -0.02     0.03   0.05  -0.03
    31   1     0.14  -0.08   0.00    -0.28   0.04  -0.02    -0.22   0.08  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.0827               432.8226               486.7677
 Red. masses --      3.2995                 4.8306                 2.5623
 Frc consts  --      0.3317                 0.5332                 0.3577
 IR Inten    --      0.1190                 2.2460                14.5409
 RamAct Fr= 1--      2.9829                 2.7854                 0.1313
  Dep-P Fr= 1--      0.7495                 0.1195                 0.4367
  Dep-U Fr= 1--      0.8568                 0.2135                 0.6079
 Alpha2 Fr= 1--      0.0000                 0.0465                 0.0008
 Beta2  Fr= 1--      0.4260                 0.0991                 0.0133
 AlphaG Fr= 1--      0.0022                 0.0820                 0.0051
 Gamma2 Fr= 1--     -0.9423                 0.1917                -0.0638
 Delta2 Fr= 1--      0.0566                -0.2360                -0.0407
 Raman1 Fr= 1--      11.932                 11.141                  0.525
 ROA1   Fr= 1--     -88.654                 10.851                 -7.429
 CID1   Fr= 1--      -7.430                  0.974                -14.150
 Raman2 Fr= 1--       5.112                  1.190                  0.160
 ROA2   Fr= 1--     -23.068                  6.488                 -1.207
 CID2   Fr= 1--      -4.513                  5.454                 -7.561
 Raman3 Fr= 1--      10.223                  2.379                  0.319
 ROA3   Fr= 1--     -88.654                 10.851                 -7.429
 CID3   Fr= 1--      -8.672                  4.561                -23.276
 RC180  Fr= 1--       0.714                 -0.573                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.08     0.09  -0.03   0.02    -0.02  -0.03   0.21
     2   6     0.00   0.00  -0.04     0.02  -0.08   0.05    -0.02  -0.03   0.19
     3   6     0.02   0.03  -0.16     0.12   0.13  -0.05     0.02   0.02  -0.11
     4   6     0.00   0.00   0.03     0.07   0.16  -0.05     0.00  -0.01   0.03
     5   6    -0.02  -0.02   0.14     0.02   0.17  -0.09     0.01  -0.01   0.05
     6   6     0.02   0.03  -0.18    -0.04  -0.01   0.10     0.02   0.02  -0.09
     7   6    -0.03  -0.04   0.23     0.06  -0.03   0.06     0.02   0.02  -0.10
     8   1     0.06   0.07  -0.39     0.24   0.17  -0.02     0.05   0.07  -0.44
     9   1    -0.04  -0.04   0.29    -0.06   0.25  -0.16     0.02  -0.00  -0.04
    10   1     0.04   0.06  -0.35    -0.16  -0.07   0.16     0.07   0.08  -0.40
    11   6     0.00  -0.00   0.00     0.03  -0.11  -0.02     0.00   0.01  -0.00
    12   6     0.00  -0.01   0.00     0.12  -0.12   0.04    -0.00   0.01  -0.00
    13   6    -0.00   0.00  -0.00    -0.06  -0.10  -0.01    -0.00   0.00   0.00
    14   1     0.01  -0.00   0.00     0.15  -0.12  -0.07    -0.00   0.01  -0.00
    15   1    -0.00  -0.00   0.00     0.17  -0.12   0.07    -0.02   0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.23  -0.20   0.09    -0.02   0.01   0.00
    17   1     0.00  -0.01   0.00     0.12   0.04   0.04    -0.00  -0.01   0.00
    18   8    -0.00   0.00  -0.00    -0.10  -0.00   0.11    -0.00  -0.00   0.01
    19   8     0.00  -0.00  -0.00    -0.04   0.03  -0.05    -0.00  -0.01  -0.00
    20   1    -0.01   0.04  -0.01    -0.02  -0.09  -0.11    -0.03   0.09   0.01
    21   6     0.02   0.03  -0.19     0.03  -0.06  -0.04    -0.01  -0.02   0.05
    22   6     0.01   0.01  -0.08    -0.05  -0.05  -0.09    -0.02  -0.02   0.07
    23   6    -0.01  -0.03   0.11     0.03  -0.12  -0.09     0.01   0.01  -0.13
    24   8    -0.01  -0.01   0.05    -0.10   0.09   0.05    -0.01   0.00  -0.01
    25   6    -0.01   0.00   0.00    -0.15   0.11   0.01    -0.01   0.01   0.00
    26   1    -0.05  -0.08   0.44     0.05  -0.05   0.12     0.06   0.09  -0.44
    27   1     0.04   0.05  -0.31     0.11  -0.14  -0.01     0.03   0.00  -0.12
    28   1    -0.04  -0.06   0.33     0.03  -0.11  -0.09     0.05   0.08  -0.49
    29   1    -0.01   0.00   0.01    -0.13   0.04  -0.06    -0.00   0.02  -0.04
    30   1    -0.01   0.05  -0.02    -0.24   0.14   0.01    -0.02  -0.03   0.02
    31   1     0.00  -0.03  -0.03    -0.15   0.12   0.01     0.02   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.7943               527.4974               536.9044
 Red. masses --      4.5387                 4.5959                 5.9579
 Frc consts  --      0.6494                 0.7535                 1.0119
 IR Inten    --      6.9562                 9.0823                 0.1917
 RamAct Fr= 1--      1.2709                 6.3344                11.5284
  Dep-P Fr= 1--      0.5639                 0.1811                 0.4225
  Dep-U Fr= 1--      0.7211                 0.3066                 0.5940
 Alpha2 Fr= 1--      0.0045                 0.0904                 0.0786
 Beta2  Fr= 1--      0.1527                 0.3237                 1.1413
 AlphaG Fr= 1--     -0.0120                -0.0498                 0.0833
 Gamma2 Fr= 1--     -0.6236                -0.1489                -0.3813
 Delta2 Fr= 1--     -0.0273                 0.6566                -0.2929
 Raman1 Fr= 1--       5.083                 25.338                 46.114
 ROA1   Fr= 1--     -60.743                  6.719                -45.978
 CID1   Fr= 1--     -11.949                  0.265                 -0.997
 Raman2 Fr= 1--       1.833                  3.884                 13.696
 ROA2   Fr= 1--     -14.748                 -8.826                 -6.808
 CID2   Fr= 1--      -8.047                 -2.272                 -0.497
 Raman3 Fr= 1--       3.666                  7.768                 27.392
 ROA3   Fr= 1--     -60.743                  6.719                -45.978
 CID3   Fr= 1--     -16.571                  0.865                 -1.679
 RC180  Fr= 1--       0.442                 -0.387                  0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.11  -0.00     0.11  -0.05  -0.01     0.12   0.09   0.04
     2   6    -0.04  -0.09   0.01    -0.03  -0.11   0.02    -0.13  -0.01  -0.02
     3   6    -0.05   0.07  -0.02     0.15   0.00  -0.02     0.06  -0.12  -0.01
     4   6    -0.08   0.11   0.01     0.10   0.03   0.05    -0.03  -0.11  -0.03
     5   6    -0.16   0.12   0.00    -0.00  -0.01  -0.05    -0.25  -0.19  -0.06
     6   6    -0.17  -0.03  -0.04    -0.03  -0.14  -0.00    -0.23  -0.06  -0.04
     7   6    -0.07  -0.11  -0.04    -0.02   0.07   0.02     0.28   0.10   0.05
     8   1     0.07   0.12  -0.03     0.19   0.02  -0.04    -0.07  -0.16  -0.03
     9   1    -0.25   0.19  -0.01    -0.09   0.08  -0.13    -0.29  -0.17  -0.05
    10   1    -0.33  -0.09  -0.10    -0.05  -0.14  -0.03    -0.15  -0.03  -0.03
    11   6    -0.02  -0.10   0.01     0.07   0.04   0.03    -0.02  -0.02   0.01
    12   6     0.10  -0.13   0.05    -0.01   0.00  -0.00     0.00  -0.03   0.01
    13   6     0.05  -0.04   0.00    -0.05  -0.02  -0.01     0.01   0.00   0.01
    14   1     0.02  -0.15   0.04     0.16   0.05  -0.03    -0.07  -0.01   0.03
    15   1     0.18  -0.16   0.08    -0.06   0.01  -0.03     0.02  -0.04   0.01
    16   1     0.21  -0.20   0.09    -0.08   0.05  -0.03     0.00  -0.03   0.00
    17   1     0.10   0.04   0.03    -0.01  -0.11   0.01     0.00  -0.02  -0.01
    18   8     0.03   0.04  -0.08    -0.05  -0.02   0.07     0.01   0.00  -0.03
    19   8     0.03   0.03   0.01    -0.02   0.00  -0.05     0.01   0.00   0.00
    20   1     0.06  -0.06   0.01    -0.02  -0.04  -0.09     0.01   0.02  -0.01
    21   6    -0.02   0.09   0.02     0.00   0.24   0.04     0.28   0.08   0.05
    22   6     0.12   0.12   0.04    -0.12   0.15  -0.03     0.02   0.01   0.01
    23   6     0.04   0.13   0.01    -0.05   0.11   0.00    -0.09   0.04  -0.00
    24   8     0.18   0.01   0.03    -0.16  -0.18  -0.04     0.02   0.09   0.02
    25   6     0.07  -0.09  -0.01     0.12  -0.07   0.00    -0.07   0.09   0.01
    26   1    -0.15  -0.14  -0.09    -0.23  -0.02   0.03     0.33   0.13   0.05
    27   1    -0.20   0.24   0.00    -0.02   0.25   0.09     0.41  -0.03   0.04
    28   1     0.13   0.16  -0.02     0.16   0.19   0.06    -0.08   0.05  -0.01
    29   1     0.09  -0.21  -0.03     0.06   0.28   0.05    -0.05  -0.02  -0.01
    30   1    -0.00  -0.06  -0.01     0.32  -0.16   0.01    -0.13   0.11   0.01
    31   1     0.01  -0.06  -0.01     0.33  -0.17   0.02    -0.13   0.11   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.7080               598.4326               625.4411
 Red. masses --      3.2783                 1.1686                 3.8487
 Frc consts  --      0.6335                 0.2466                 0.8870
 IR Inten    --      2.9584                45.7050                 4.1531
 RamAct Fr= 1--      1.8991                 0.8565                 1.5755
  Dep-P Fr= 1--      0.4080                 0.7500                 0.6817
  Dep-U Fr= 1--      0.5795                 0.8571                 0.8108
 Alpha2 Fr= 1--      0.0137                 0.0000                 0.0019
 Beta2  Fr= 1--      0.1834                 0.1224                 0.2129
 AlphaG Fr= 1--     -0.0585                 0.0005                -0.0021
 Gamma2 Fr= 1--      0.2921                -0.3478                 0.9918
 Delta2 Fr= 1--     -0.5521                 0.5859                 0.7028
 Raman1 Fr= 1--       7.596                  3.426                  6.302
 ROA1   Fr= 1--      10.368                -14.636                117.700
 CID1   Fr= 1--       1.365                 -4.272                 18.677
 Raman2 Fr= 1--       2.201                  1.468                  2.555
 ROA2   Fr= 1--      11.426                -13.034                 18.180
 CID2   Fr= 1--       5.191                 -8.877                  7.116
 Raman3 Fr= 1--       4.402                  2.936                  5.109
 ROA3   Fr= 1--      10.368                -14.636                117.700
 CID3   Fr= 1--       2.355                 -4.984                 23.036
 RC180  Fr= 1--       0.159                  0.714                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.09     0.01  -0.01   0.01    -0.06   0.02  -0.05
     2   6    -0.02  -0.00   0.15     0.01   0.00  -0.04    -0.11  -0.01   0.06
     3   6    -0.01  -0.00  -0.07     0.00   0.00   0.02    -0.05   0.08   0.04
     4   6    -0.03  -0.06   0.19     0.01   0.01  -0.04     0.08  -0.00   0.08
     5   6     0.01  -0.01  -0.10     0.00   0.01   0.00     0.01  -0.05   0.02
     6   6     0.00   0.00   0.06    -0.00  -0.00   0.00    -0.01  -0.09  -0.04
     7   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.01     0.01  -0.05  -0.07
     8   1    -0.03   0.01  -0.23     0.02   0.01   0.02    -0.09   0.07  -0.09
     9   1     0.07   0.04  -0.44    -0.01  -0.00   0.08    -0.06   0.05  -0.16
    10   1     0.06   0.06  -0.16    -0.02  -0.02   0.09     0.07  -0.03  -0.25
    11   6    -0.01   0.03   0.16     0.00  -0.02  -0.01     0.13   0.02  -0.16
    12   6    -0.00  -0.02   0.02     0.01  -0.03   0.01    -0.00   0.04  -0.03
    13   6    -0.05   0.06   0.03    -0.01   0.02   0.00     0.07  -0.04  -0.11
    14   1     0.02   0.02   0.16    -0.01  -0.04   0.02     0.23   0.06  -0.25
    15   1     0.01  -0.14  -0.00     0.01   0.01   0.03    -0.18   0.24  -0.05
    16   1    -0.07   0.10  -0.07     0.02  -0.05   0.04    -0.04  -0.02   0.04
    17   1     0.00  -0.09  -0.02     0.01  -0.01   0.02    -0.02  -0.11   0.12
    18   8    -0.03  -0.02  -0.10    -0.01   0.02   0.01     0.06   0.04   0.18
    19   8     0.11  -0.01  -0.07     0.01  -0.07  -0.01    -0.14  -0.04   0.00
    20   1    -0.03   0.40  -0.24    -0.24   0.95   0.04    -0.14   0.20   0.32
    21   6    -0.02  -0.04   0.02     0.00   0.01  -0.01     0.00  -0.05   0.04
    22   6     0.04   0.02  -0.18    -0.01  -0.00   0.04     0.06   0.02  -0.14
    23   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.08   0.05   0.02
    24   8     0.02   0.01   0.06    -0.01  -0.00  -0.01     0.07   0.04   0.05
    25   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    26   1    -0.01  -0.04   0.25    -0.00   0.00  -0.04     0.03  -0.07   0.12
    27   1    -0.06  -0.09   0.35     0.01   0.02  -0.08    -0.08  -0.07   0.36
    28   1    -0.05  -0.05   0.13     0.01   0.01  -0.02    -0.16  -0.01   0.20
    29   1     0.01  -0.04  -0.03    -0.00   0.01   0.01     0.02  -0.10  -0.02
    30   1    -0.06   0.04  -0.00     0.01  -0.01   0.00    -0.07   0.05  -0.00
    31   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.04   0.01  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    648.9237               687.0249               714.5751
 Red. masses --      3.9163                 4.9638                 3.6986
 Frc consts  --      0.9717                 1.3804                 1.1127
 IR Inten    --      3.6854                 3.8769                 8.1926
 RamAct Fr= 1--      0.2664                 0.5838                 2.3537
  Dep-P Fr= 1--      0.7390                 0.2604                 0.1809
  Dep-U Fr= 1--      0.8499                 0.4132                 0.3064
 Alpha2 Fr= 1--      0.0000                 0.0067                 0.0336
 Beta2  Fr= 1--      0.0377                 0.0402                 0.1202
 AlphaG Fr= 1--     -0.0033                 0.0150                 0.0268
 Gamma2 Fr= 1--      0.6089                -0.3771                -1.4929
 Delta2 Fr= 1--      0.1056                -0.3526                -0.2466
 Raman1 Fr= 1--       1.066                  2.335                  9.415
 ROA1   Fr= 1--      61.835                -47.483               -151.212
 CID1   Fr= 1--      58.026                -20.334                -16.061
 Raman2 Fr= 1--       0.453                  0.482                  1.442
 ROA2   Fr= 1--      13.770                 -6.230                -33.858
 CID2   Fr= 1--      30.406                -12.912                -23.477
 Raman3 Fr= 1--       0.906                  0.965                  2.884
 ROA3   Fr= 1--      61.835                -47.483               -151.212
 CID3   Fr= 1--      68.271                -49.211                -52.425
 RC180  Fr= 1--       0.700                 -0.174                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.00     0.07   0.05  -0.05    -0.00  -0.03  -0.13
     2   6    -0.11   0.02  -0.09     0.06   0.04  -0.02     0.02  -0.01   0.00
     3   6    -0.04   0.13  -0.05     0.10  -0.12  -0.06    -0.06   0.00  -0.03
     4   6     0.11   0.01   0.04     0.00  -0.07   0.15    -0.11  -0.03   0.21
     5   6     0.07  -0.06  -0.08    -0.15  -0.02  -0.09     0.06   0.06  -0.02
     6   6     0.03  -0.17   0.04    -0.14   0.14   0.09     0.04   0.00   0.09
     7   6    -0.00  -0.11   0.08    -0.15   0.16   0.10     0.08  -0.13   0.08
     8   1    -0.13   0.09   0.00     0.07  -0.12  -0.16     0.01   0.05  -0.21
     9   1    -0.05   0.02  -0.02    -0.08  -0.00  -0.32     0.17   0.10  -0.48
    10   1     0.09  -0.17   0.26    -0.14   0.15   0.05     0.03   0.03  -0.16
    11   6     0.12   0.08   0.13     0.12   0.04  -0.01    -0.11  -0.07  -0.11
    12   6     0.01   0.01   0.01     0.02  -0.02   0.00    -0.03   0.03  -0.03
    13   6    -0.06   0.01   0.02     0.05  -0.03  -0.08     0.06   0.03  -0.04
    14   1     0.15   0.12   0.07     0.23   0.08  -0.11    -0.08  -0.13  -0.07
    15   1    -0.07  -0.08  -0.05    -0.10   0.03  -0.04     0.01   0.14   0.03
    16   1    -0.14   0.19  -0.12    -0.08   0.04  -0.02     0.12  -0.16   0.11
    17   1     0.01  -0.22   0.01     0.01  -0.22   0.06    -0.04   0.24   0.02
    18   8    -0.06  -0.03   0.01     0.04   0.02   0.09     0.08   0.02   0.00
    19   8     0.02   0.02  -0.06    -0.08  -0.01  -0.05    -0.02  -0.02   0.03
    20   1     0.03  -0.12  -0.19    -0.05   0.02   0.14     0.01   0.00   0.20
    21   6     0.03  -0.05  -0.08    -0.15   0.00  -0.09     0.12   0.04  -0.06
    22   6     0.01  -0.04   0.19    -0.01  -0.06   0.14    -0.03   0.00   0.15
    23   6    -0.11   0.09  -0.04     0.09  -0.11  -0.05     0.00   0.06  -0.04
    24   8     0.08   0.05  -0.01     0.09   0.03  -0.00    -0.09  -0.04  -0.04
    25   6     0.00   0.01  -0.00     0.04  -0.06  -0.01    -0.03   0.04   0.00
    26   1     0.08  -0.05  -0.08    -0.16   0.16   0.06     0.07  -0.15   0.15
    27   1     0.02   0.07  -0.47    -0.08   0.02  -0.33     0.12   0.08  -0.23
    28   1    -0.15   0.10  -0.30     0.07  -0.09  -0.25     0.08   0.12  -0.22
    29   1     0.02  -0.10  -0.01     0.05  -0.16  -0.02    -0.05   0.16   0.02
    30   1    -0.05   0.01   0.00    -0.02  -0.05  -0.01     0.04  -0.00   0.01
    31   1    -0.07   0.06   0.00    -0.03  -0.02  -0.00     0.03   0.02   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.8870               771.0566               785.8986
 Red. masses --      4.8980                 4.6412                 2.4463
 Frc consts  --      1.6271                 1.6257                 0.8902
 IR Inten    --      3.9005                 6.6843                 1.4835
 RamAct Fr= 1--      1.0788                66.0075                 3.5269
  Dep-P Fr= 1--      0.6402                 0.0648                 0.0757
  Dep-U Fr= 1--      0.7807                 0.1217                 0.1407
 Alpha2 Fr= 1--      0.0021                 1.2586                 0.0655
 Beta2  Fr= 1--      0.1404                 1.3390                 0.0827
 AlphaG Fr= 1--     -0.0507                 0.0990                -0.1324
 Gamma2 Fr= 1--      2.1836                 1.3669                -0.2751
 Delta2 Fr= 1--     -0.3130                 0.3530                 0.1147
 Raman1 Fr= 1--       4.315                264.030                 14.108
 ROA1   Fr= 1--     199.606                142.520                -22.742
 CID1   Fr= 1--      46.256                  0.540                 -1.612
 Raman2 Fr= 1--       1.684                 16.068                  0.992
 ROA2   Fr= 1--      54.910                 29.981                 -7.521
 CID2   Fr= 1--      32.600                  1.866                 -7.578
 Raman3 Fr= 1--       3.369                 32.135                  1.985
 ROA3   Fr= 1--     199.606                142.520                -22.742
 CID3   Fr= 1--      59.252                  4.435                -11.458
 RC180  Fr= 1--       0.561                 -0.757                 -0.719
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.02     0.02   0.12  -0.06     0.03   0.02  -0.19
     2   6    -0.00  -0.01  -0.01    -0.01  -0.12   0.03    -0.03  -0.02   0.21
     3   6     0.01   0.02   0.00    -0.04   0.14   0.05     0.01  -0.03   0.04
     4   6     0.01   0.00  -0.01     0.02   0.03   0.02     0.02   0.02  -0.12
     5   6    -0.00   0.00  -0.01     0.04  -0.04   0.04    -0.02  -0.01   0.08
     6   6    -0.00  -0.02  -0.01     0.04  -0.27  -0.03     0.00   0.05  -0.07
     7   6    -0.01   0.03  -0.00    -0.06   0.28   0.06    -0.00  -0.04   0.02
     8   1     0.01   0.02   0.01    -0.07   0.13   0.02    -0.03  -0.09   0.40
     9   1    -0.03   0.01   0.06    -0.09   0.12  -0.19    -0.01  -0.04   0.16
    10   1    -0.02  -0.03   0.05     0.01  -0.25  -0.28     0.03   0.08  -0.17
    11   6     0.01  -0.01  -0.05    -0.10  -0.07  -0.10     0.03   0.02   0.02
    12   6     0.05  -0.15   0.04    -0.04   0.05  -0.04     0.01  -0.02   0.01
    13   6    -0.12   0.50  -0.02    -0.02  -0.01   0.05    -0.01   0.02   0.00
    14   1    -0.07  -0.26   0.24    -0.10  -0.15  -0.03    -0.00   0.03   0.03
    15   1    -0.09   0.22   0.10     0.03   0.17   0.03    -0.00  -0.04   0.00
    16   1     0.08  -0.39   0.28     0.14  -0.15   0.11    -0.03   0.02  -0.02
    17   1     0.03  -0.16   0.23    -0.05   0.32  -0.01     0.01  -0.08   0.01
    18   8     0.09  -0.12   0.04    -0.03  -0.01  -0.06    -0.01  -0.01   0.01
    19   8    -0.05  -0.09  -0.07     0.07   0.01   0.09    -0.01  -0.00  -0.01
    20   1     0.04  -0.37   0.03     0.03   0.07  -0.03    -0.01   0.01  -0.03
    21   6    -0.01   0.00   0.01    -0.05   0.05  -0.04     0.01   0.01  -0.10
    22   6     0.00  -0.00  -0.02    -0.02  -0.04   0.04    -0.00  -0.01   0.06
    23   6     0.00  -0.01   0.00     0.05  -0.14  -0.03    -0.02   0.02   0.02
    24   8     0.01   0.01   0.00     0.09   0.04   0.01    -0.01  -0.00   0.00
    25   6     0.01  -0.01  -0.00     0.03  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.03  -0.03    -0.04   0.27   0.22    -0.05  -0.11   0.37
    27   1    -0.00  -0.01   0.01     0.10  -0.08   0.02    -0.05  -0.02   0.17
    28   1    -0.00  -0.02   0.04     0.10  -0.10  -0.17     0.05   0.13  -0.65
    29   1     0.01  -0.02  -0.00     0.06  -0.17  -0.03     0.00   0.02  -0.03
    30   1    -0.01  -0.00  -0.00    -0.04  -0.02  -0.00    -0.00  -0.01   0.00
    31   1    -0.01  -0.00  -0.00    -0.04  -0.01  -0.01     0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    815.4413               828.5571               837.5278
 Red. masses --      2.9917                 1.4625                 1.8341
 Frc consts  --      1.1721                 0.5915                 0.7580
 IR Inten    --      8.7532                11.8337                12.7552
 RamAct Fr= 1--      4.4061                 0.7119                 0.8289
  Dep-P Fr= 1--      0.5282                 0.5942                 0.6132
  Dep-U Fr= 1--      0.6913                 0.7454                 0.7602
 Alpha2 Fr= 1--      0.0189                 0.0021                 0.0021
 Beta2  Fr= 1--      0.5076                 0.0884                 0.1050
 AlphaG Fr= 1--     -0.0818                 0.0106                 0.0377
 Gamma2 Fr= 1--     -0.9917                 1.0672                 0.7246
 Delta2 Fr= 1--     -0.9494                 0.0867                 0.3599
 Raman1 Fr= 1--      17.624                  2.848                  3.315
 ROA1   Fr= 1--    -125.587                105.228                 81.080
 CID1   Fr= 1--      -7.126                 36.954                 24.456
 Raman2 Fr= 1--       6.092                  1.061                  1.260
 ROA2   Fr= 1--     -16.206                 24.920                 14.512
 CID2   Fr= 1--      -2.660                 23.481                 11.516
 Raman3 Fr= 1--      12.183                  2.123                  2.520
 ROA3   Fr= 1--    -125.587                105.228                 81.080
 CID3   Fr= 1--     -10.308                 49.574                 32.170
 RC180  Fr= 1--       0.383                  0.491                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.01    -0.00  -0.02   0.07    -0.03  -0.01   0.07
     2   6    -0.04   0.06  -0.03    -0.01   0.01  -0.02     0.02  -0.00  -0.05
     3   6     0.11  -0.05   0.03     0.02  -0.01   0.01    -0.04   0.01   0.02
     4   6     0.07   0.01  -0.04     0.00  -0.01   0.08    -0.01   0.01  -0.08
     5   6    -0.02  -0.02   0.06     0.01   0.01  -0.08    -0.01  -0.01   0.04
     6   6    -0.04   0.07   0.08     0.00   0.02  -0.04    -0.00  -0.03   0.06
     7   6    -0.02  -0.07  -0.02     0.00   0.00  -0.07     0.02   0.02  -0.08
     8   1     0.17  -0.01  -0.10     0.07   0.05  -0.32    -0.04   0.04  -0.19
     9   1     0.05   0.06  -0.40    -0.04  -0.06   0.31     0.03   0.05  -0.26
    10   1     0.10   0.19  -0.39    -0.05  -0.07   0.47     0.03   0.04  -0.35
    11   6     0.07  -0.01  -0.14     0.00  -0.02  -0.04     0.00   0.03   0.06
    12   6     0.01   0.01  -0.05    -0.01   0.02  -0.02     0.01  -0.03   0.03
    13   6    -0.10   0.01   0.10    -0.01  -0.00   0.01     0.02   0.00  -0.01
    14   1     0.13  -0.10  -0.08     0.05  -0.04  -0.04    -0.08   0.08   0.05
    15   1    -0.15   0.36  -0.02    -0.04   0.12  -0.01     0.05  -0.18   0.00
    16   1     0.02  -0.18   0.14     0.02  -0.06   0.05    -0.05   0.10  -0.08
    17   1    -0.01  -0.02   0.12    -0.01   0.04   0.03     0.03  -0.09  -0.04
    18   8    -0.11  -0.04  -0.05    -0.02  -0.01  -0.01     0.02   0.01   0.02
    19   8     0.11   0.02   0.12     0.03   0.01   0.03    -0.03  -0.00  -0.05
    20   1     0.05   0.02  -0.17     0.02  -0.01  -0.01    -0.02  -0.02   0.01
    21   6    -0.04  -0.04  -0.02     0.00   0.01  -0.07     0.02   0.03  -0.08
    22   6    -0.00  -0.01   0.05    -0.00  -0.01   0.02    -0.01  -0.02   0.12
    23   6    -0.08   0.07  -0.04    -0.02  -0.00   0.05     0.04  -0.01  -0.06
    24   8     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.01  -0.00  -0.03
    25   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    26   1    -0.08  -0.11   0.06    -0.06  -0.08   0.38    -0.04  -0.07   0.50
    27   1    -0.10   0.01   0.01    -0.07  -0.08   0.44    -0.04  -0.08   0.49
    28   1    -0.20  -0.02   0.27     0.02   0.07  -0.35     0.02  -0.06   0.31
    29   1     0.02  -0.04   0.01     0.01  -0.01  -0.01    -0.01   0.02   0.02
    30   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    31   1    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.5811               883.6118               922.5125
 Red. masses --      3.1828                 1.8283                 1.5100
 Frc consts  --      1.4083                 0.8410                 0.7571
 IR Inten    --      1.1826                35.6865                12.4049
 RamAct Fr= 1--     24.5410                 1.5828                 0.9692
  Dep-P Fr= 1--      0.1068                 0.7114                 0.7367
  Dep-U Fr= 1--      0.1931                 0.8313                 0.8484
 Alpha2 Fr= 1--      0.4225                 0.0011                 0.0002
 Beta2  Fr= 1--      0.7897                 0.2193                 0.1370
 AlphaG Fr= 1--      0.0959                 0.0372                -0.0081
 Gamma2 Fr= 1--     -1.0082                -0.7670                -0.4227
 Delta2 Fr= 1--     -0.6246                -0.2472                 0.0347
 Raman1 Fr= 1--      98.164                  6.331                  3.877
 ROA1   Fr= 1--    -116.770                -81.540                -39.472
 CID1   Fr= 1--      -1.190                -12.879                -10.182
 Raman2 Fr= 1--       9.476                  2.632                  1.645
 ROA2   Fr= 1--     -19.200                -16.430                -10.423
 CID2   Fr= 1--      -2.026                 -6.243                 -6.338
 Raman3 Fr= 1--      18.952                  5.264                  3.289
 ROA3   Fr= 1--    -116.770                -81.540                -39.472
 CID3   Fr= 1--      -6.161                -15.491                -12.001
 RC180  Fr= 1--      -0.614                  0.663                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.02     0.00   0.01  -0.05    -0.01  -0.01   0.08
     2   6    -0.10   0.04  -0.00    -0.01  -0.03   0.14     0.01   0.01  -0.02
     3   6     0.19  -0.06  -0.00    -0.01   0.00   0.00     0.01   0.03  -0.17
     4   6     0.02   0.03   0.01    -0.00  -0.01   0.03    -0.00  -0.01   0.06
     5   6     0.06   0.01   0.01     0.00   0.01  -0.06    -0.01  -0.01  -0.00
     6   6     0.04  -0.02   0.01     0.01   0.02  -0.07    -0.01   0.00   0.02
     7   6    -0.03   0.01  -0.01    -0.00  -0.00   0.02     0.00  -0.00  -0.01
     8   1     0.35  -0.01   0.10    -0.02  -0.01   0.04    -0.13  -0.15   0.88
     9   1     0.07   0.01   0.02    -0.06  -0.08   0.45    -0.01  -0.00  -0.01
    10   1     0.16   0.03  -0.00    -0.04  -0.05   0.26     0.00   0.02  -0.08
    11   6    -0.16  -0.05   0.07     0.01  -0.01  -0.01     0.01  -0.02  -0.01
    12   6    -0.08   0.01   0.01    -0.00   0.01  -0.01    -0.01   0.02  -0.02
    13   6     0.06   0.01  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    14   1    -0.17  -0.11   0.14     0.04  -0.02  -0.02     0.07  -0.05  -0.01
    15   1     0.24  -0.23   0.09    -0.02   0.06  -0.01    -0.02   0.10   0.00
    16   1     0.17  -0.05  -0.01     0.00  -0.02   0.02     0.02  -0.04   0.03
    17   1    -0.06   0.44  -0.17    -0.01   0.01   0.02    -0.02   0.05   0.03
    18   8     0.07   0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.06  -0.01  -0.06     0.01   0.00   0.01     0.01  -0.00   0.01
    20   1    -0.03  -0.00   0.10     0.01  -0.00   0.00    -0.00   0.05   0.02
    21   6    -0.06  -0.04  -0.03     0.00   0.01  -0.02     0.01   0.01  -0.04
    22   6    -0.03  -0.03   0.01    -0.01  -0.01   0.09     0.00  -0.00   0.02
    23   6    -0.18   0.08  -0.03     0.03   0.03  -0.17     0.01  -0.00   0.00
    24   8     0.07   0.06   0.01    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    25   6     0.04  -0.03  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.12  -0.03   0.03    -0.00  -0.01   0.04     0.02   0.01  -0.06
    27   1    -0.06  -0.06   0.05     0.00   0.00   0.00    -0.04  -0.05   0.32
    28   1    -0.37  -0.01   0.07    -0.08  -0.14   0.78     0.02  -0.00   0.02
    29   1     0.07  -0.17  -0.02    -0.01   0.00   0.03    -0.01   0.01   0.00
    30   1    -0.04   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    31   1    -0.04   0.01  -0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.3422               964.6596               971.2346
 Red. masses --      3.5903                 1.3107                 1.3380
 Frc consts  --      1.9064                 0.7186                 0.7436
 IR Inten    --     25.4355                 0.3082                 0.7341
 RamAct Fr= 1--      0.7766                 2.0844                 1.0742
  Dep-P Fr= 1--      0.7304                 0.7486                 0.5549
  Dep-U Fr= 1--      0.8442                 0.8563                 0.7137
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0040
 Beta2  Fr= 1--      0.1093                 0.2975                 0.1278
 AlphaG Fr= 1--      0.0057                -0.0059                 0.0882
 Gamma2 Fr= 1--      0.4859                -0.0829                 0.9363
 Delta2 Fr= 1--     -0.9810                 0.1378                 0.1967
 Raman1 Fr= 1--       3.106                  8.338                  4.297
 ROA1   Fr= 1--      15.253                 -3.547                 96.180
 CID1   Fr= 1--       4.910                 -0.425                 22.384
 Raman2 Fr= 1--       1.311                  3.570                  1.533
 ROA2   Fr= 1--      19.509                 -3.091                 20.898
 CID2   Fr= 1--      14.879                 -0.866                 13.629
 Raman3 Fr= 1--       2.622                  7.139                  3.067
 ROA3   Fr= 1--      15.253                 -3.547                 96.180
 CID3   Fr= 1--       5.817                 -0.497                 31.363
 RC180  Fr= 1--       0.688                  0.713                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.01    -0.01  -0.01   0.02    -0.00  -0.00  -0.02
     2   6    -0.07  -0.06  -0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     3   6    -0.05  -0.16  -0.05     0.00   0.00  -0.04    -0.01  -0.00   0.02
     4   6    -0.12  -0.03  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.01
     5   6     0.13   0.22   0.06     0.01   0.01  -0.02     0.02   0.02  -0.11
     6   6     0.04  -0.01  -0.01    -0.00  -0.00   0.02    -0.01  -0.01   0.11
     7   6     0.02   0.06   0.02     0.02   0.02  -0.11    -0.00  -0.01   0.03
     8   1    -0.08  -0.19   0.06    -0.03  -0.03   0.17     0.00   0.01  -0.09
     9   1     0.22   0.17   0.00    -0.01  -0.02   0.15    -0.07  -0.12   0.67
    10   1    -0.18  -0.10   0.04     0.01   0.02  -0.12     0.08   0.13  -0.65
    11   6     0.04   0.05  -0.04     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6     0.08  -0.03   0.02    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    13   6    -0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.19  -0.14     0.02  -0.01  -0.00     0.02  -0.01   0.00
    15   1    -0.15   0.01  -0.08    -0.01   0.02  -0.00    -0.01   0.02  -0.00
    16   1    -0.18   0.13  -0.05     0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.08  -0.45   0.09    -0.00   0.00   0.01    -0.00   0.01   0.00
    18   8    -0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8     0.02   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00     0.00  -0.01   0.00
    21   6     0.09   0.15   0.03    -0.01  -0.01   0.10     0.01   0.02  -0.01
    22   6    -0.08  -0.04  -0.01    -0.00   0.00  -0.01    -0.01  -0.00  -0.00
    23   6    -0.14  -0.09  -0.04    -0.00  -0.01  -0.00    -0.01  -0.02   0.01
    24   8     0.06   0.07   0.02     0.00   0.00   0.01     0.00   0.01   0.00
    25   6     0.06  -0.04  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.14   0.00  -0.06    -0.09  -0.13   0.70    -0.00   0.01  -0.16
    27   1     0.21   0.04   0.09     0.08   0.11  -0.61    -0.01   0.00   0.10
    28   1    -0.28  -0.15  -0.05    -0.00  -0.01  -0.02    -0.01  -0.01  -0.07
    29   1     0.09  -0.22  -0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    30   1    -0.06   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.06   0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.2320              1013.8104              1061.6746
 Red. masses --      3.5064                 2.2773                 4.7054
 Frc consts  --      1.9891                 1.3791                 3.1248
 IR Inten    --      0.5744                11.5120                53.9358
 RamAct Fr= 1--     18.3561                 2.8936                 2.8058
  Dep-P Fr= 1--      0.1241                 0.4389                 0.3909
  Dep-U Fr= 1--      0.2207                 0.6101                 0.5620
 Alpha2 Fr= 1--      0.3029                 0.0185                 0.0215
 Beta2  Fr= 1--      0.6753                 0.2942                 0.2628
 AlphaG Fr= 1--     -0.1609                 0.0416                 0.0015
 Gamma2 Fr= 1--     -0.5504                -0.2433                 0.4892
 Delta2 Fr= 1--      0.0172                -2.2885                 0.2262
 Raman1 Fr= 1--      73.424                 11.574                 11.223
 ROA1   Fr= 1--     -52.292                -96.593                 54.206
 CID1   Fr= 1--      -0.712                 -8.345                  4.830
 Raman2 Fr= 1--       8.103                  3.531                  3.154
 ROA2   Fr= 1--     -13.349                 12.468                  9.932
 CID2   Fr= 1--      -1.647                  3.531                  3.149
 Raman3 Fr= 1--      16.207                  7.061                  6.308
 ROA3   Fr= 1--     -52.292                -96.593                 54.206
 CID3   Fr= 1--      -3.227                -13.679                  8.593
 RC180  Fr= 1--      -0.559                  0.220                  0.124
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.03   0.00  -0.00     0.02   0.01   0.00
     2   6    -0.03   0.02   0.00    -0.00  -0.02  -0.01     0.05  -0.03  -0.00
     3   6    -0.04   0.14   0.03    -0.03  -0.08  -0.00    -0.02   0.04   0.00
     4   6     0.07  -0.01  -0.01     0.03  -0.03  -0.05    -0.01  -0.01  -0.00
     5   6    -0.02  -0.13  -0.00     0.02   0.10   0.04    -0.01  -0.02  -0.01
     6   6    -0.01   0.13   0.01    -0.03   0.00  -0.01    -0.01   0.03   0.01
     7   6     0.01  -0.12  -0.02     0.00   0.03   0.01     0.08  -0.05   0.00
     8   1    -0.04   0.15  -0.02    -0.16  -0.13  -0.13    -0.05   0.03   0.01
     9   1     0.10  -0.18  -0.15    -0.02   0.16  -0.03     0.06  -0.08  -0.01
    10   1     0.21   0.21   0.16    -0.24  -0.08  -0.04    -0.04   0.02   0.00
    11   6     0.02  -0.06   0.05     0.10  -0.12   0.13    -0.00  -0.02   0.01
    12   6    -0.05   0.05  -0.03    -0.04   0.13  -0.10     0.02   0.02  -0.01
    13   6     0.01   0.01   0.01     0.02  -0.02   0.06     0.01  -0.00   0.01
    14   1     0.03  -0.17   0.15     0.14  -0.44   0.42    -0.06  -0.02   0.03
    15   1     0.04   0.08   0.02    -0.11   0.46  -0.02    -0.06   0.06  -0.03
    16   1     0.07  -0.03   0.03     0.03  -0.10   0.12    -0.06   0.03  -0.00
    17   1    -0.05   0.24  -0.02    -0.06   0.22   0.11     0.01  -0.08   0.03
    18   8     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.02  -0.00  -0.03    -0.04  -0.01  -0.08    -0.01  -0.00  -0.01
    20   1    -0.02  -0.01  -0.04    -0.05  -0.02  -0.11    -0.01  -0.00  -0.02
    21   6     0.07   0.24   0.05     0.01  -0.02  -0.00    -0.02  -0.12  -0.02
    22   6    -0.07  -0.02  -0.01     0.01   0.00   0.00    -0.18   0.09  -0.01
    23   6    -0.01  -0.23  -0.04     0.00   0.02   0.01     0.02   0.06   0.01
    24   8     0.02   0.05   0.01     0.00  -0.01  -0.00    -0.13   0.29   0.04
    25   6     0.05  -0.05  -0.00    -0.01   0.01   0.00     0.14  -0.32  -0.04
    26   1    -0.35  -0.26  -0.09     0.08   0.06   0.01     0.32   0.04   0.04
    27   1    -0.05   0.33   0.06     0.04  -0.04   0.00     0.22  -0.33  -0.03
    28   1    -0.13  -0.29  -0.06     0.04   0.04   0.01     0.40   0.21   0.09
    29   1     0.07  -0.16  -0.02    -0.01   0.02   0.00     0.10  -0.15  -0.01
    30   1    -0.04  -0.01  -0.00    -0.00   0.01   0.00     0.14  -0.23  -0.05
    31   1    -0.04  -0.01  -0.01    -0.00   0.01   0.00     0.13  -0.23   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1078.8280              1091.2664              1149.9100
 Red. masses --      2.2889                 1.6725                 1.4790
 Frc consts  --      1.5696                 1.1735                 1.1522
 IR Inten    --     13.7734                 5.2937                19.4667
 RamAct Fr= 1--      7.7908                 5.7003                 0.4422
  Dep-P Fr= 1--      0.6266                 0.1621                 0.7266
  Dep-U Fr= 1--      0.7705                 0.2790                 0.8417
 Alpha2 Fr= 1--      0.0175                 0.0854                 0.0002
 Beta2  Fr= 1--      1.0004                 0.2651                 0.0620
 AlphaG Fr= 1--      0.0229                -0.1069                -0.0006
 Gamma2 Fr= 1--     -1.5244                 0.7705                -0.2696
 Delta2 Fr= 1--      0.3462                 0.2962                -1.3426
 Raman1 Fr= 1--      31.163                 22.801                  1.769
 ROA1   Fr= 1--    -135.263                 83.443                -68.841
 CID1   Fr= 1--      -4.340                  3.660                -38.918
 Raman2 Fr= 1--      12.005                  3.181                  0.744
 ROA2   Fr= 1--     -39.354                 16.122                  4.271
 CID2   Fr= 1--      -3.278                  5.068                  5.737
 Raman3 Fr= 1--      24.010                  6.363                  1.489
 ROA3   Fr= 1--    -135.263                 83.443                -68.841
 CID3   Fr= 1--      -5.634                 13.115                -46.239
 RC180  Fr= 1--       0.541                 -0.442                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.04   0.01  -0.00     0.01  -0.08  -0.01
     2   6     0.01   0.02   0.01     0.01   0.00   0.00     0.02  -0.04  -0.00
     3   6    -0.01   0.01  -0.00    -0.04  -0.08  -0.01    -0.04   0.04   0.00
     4   6    -0.11   0.06   0.00     0.03   0.01  -0.01    -0.04   0.03  -0.01
     5   6    -0.01  -0.06  -0.02     0.01   0.02   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03  -0.00     0.00  -0.01  -0.00    -0.02   0.05   0.01
     7   6    -0.01   0.01   0.00     0.00  -0.01  -0.00    -0.06   0.06   0.00
     8   1     0.17   0.08   0.05    -0.22  -0.15  -0.08     0.10   0.10   0.02
     9   1     0.06  -0.14   0.01    -0.01   0.04   0.00     0.22  -0.22  -0.01
    10   1     0.21   0.03   0.03    -0.07  -0.03  -0.02    -0.03   0.04   0.00
    11   6    -0.04   0.20   0.04     0.07   0.13   0.01     0.05  -0.02   0.01
    12   6     0.06  -0.11  -0.10    -0.11  -0.09   0.00    -0.02   0.02   0.01
    13   6     0.05  -0.11   0.07    -0.02   0.00  -0.05    -0.01   0.01  -0.01
    14   1     0.01  -0.08   0.28     0.43   0.01  -0.05     0.15  -0.05  -0.02
    15   1    -0.13   0.48   0.00     0.30  -0.19   0.17     0.04  -0.05   0.01
    16   1     0.08  -0.49   0.29     0.34  -0.27   0.06     0.02   0.05  -0.03
    17   1     0.02  -0.10   0.27    -0.09   0.53  -0.12    -0.01   0.05  -0.04
    18   8     0.01   0.03  -0.00    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    19   8    -0.04   0.01  -0.04     0.03   0.01   0.03     0.01  -0.00   0.01
    20   1    -0.05   0.00  -0.13     0.03   0.01   0.07     0.01  -0.00   0.02
    21   6     0.01   0.00   0.00     0.02   0.01   0.00     0.05  -0.03   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.03  -0.00  -0.00
    23   6    -0.01   0.00  -0.00     0.01  -0.02  -0.00    -0.02   0.06   0.01
    24   8     0.00   0.00   0.00    -0.01   0.02   0.00     0.04  -0.03  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.02  -0.00    -0.00   0.04   0.01
    26   1    -0.04  -0.00  -0.00     0.04   0.01   0.01    -0.40  -0.07  -0.06
    27   1     0.06  -0.04   0.00     0.04  -0.01   0.00     0.61  -0.48  -0.01
    28   1    -0.06  -0.02  -0.01     0.02  -0.01  -0.00     0.09   0.11   0.03
    29   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.02  -0.08  -0.01
    30   1    -0.01   0.00   0.00     0.01  -0.02  -0.00    -0.04   0.03   0.01
    31   1    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.04   0.03  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.1047              1181.5610              1190.9476
 Red. masses --      1.2767                 1.4243                 1.9536
 Frc consts  --      1.0370                 1.1715                 1.6326
 IR Inten    --      0.8538                 4.4606                32.3966
 RamAct Fr= 1--      0.7220                 2.1162                16.5028
  Dep-P Fr= 1--      0.7491                 0.5149                 0.4502
  Dep-U Fr= 1--      0.8566                 0.6798                 0.6209
 Alpha2 Fr= 1--      0.0000                 0.0097                 0.1011
 Beta2  Fr= 1--      0.1031                 0.2397                 1.7078
 AlphaG Fr= 1--      0.0040                -0.0093                -0.0452
 Gamma2 Fr= 1--      0.0717                -0.5542                -8.0408
 Delta2 Fr= 1--      0.0001                -0.9820                 0.8587
 Raman1 Fr= 1--       2.888                  8.465                 66.011
 ROA1   Fr= 1--       6.888                -84.629               -744.436
 CID1   Fr= 1--       2.385                 -9.998                -11.277
 Raman2 Fr= 1--       1.237                  2.877                 20.493
 ROA2   Fr= 1--       1.721                 -5.445               -199.848
 CID2   Fr= 1--       1.391                 -1.893                 -9.752
 Raman3 Fr= 1--       2.474                  5.754                 40.987
 ROA3   Fr= 1--       6.888                -84.629               -744.436
 CID3   Fr= 1--       2.784                -14.708                -18.163
 RC180  Fr= 1--       0.713                  0.360                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.03  -0.03  -0.01     0.05   0.03   0.01
     2   6     0.00   0.00  -0.00     0.00   0.07   0.01     0.06   0.06   0.02
     3   6    -0.00   0.00  -0.00    -0.01  -0.06  -0.01    -0.02  -0.01  -0.01
     4   6     0.00   0.00   0.00    -0.04   0.04  -0.01     0.02   0.01   0.03
     5   6     0.00  -0.00   0.00    -0.07   0.01  -0.00     0.01  -0.01  -0.01
     6   6    -0.00  -0.00   0.00     0.07  -0.06  -0.00    -0.02  -0.04  -0.01
     7   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.04  -0.02  -0.01
     8   1    -0.00  -0.00  -0.00     0.13  -0.01   0.00    -0.23  -0.10   0.00
     9   1     0.00  -0.00  -0.00    -0.55   0.38  -0.00    -0.11   0.08   0.02
    10   1    -0.00  -0.00  -0.00     0.57   0.13   0.10    -0.19  -0.11  -0.04
    11   6    -0.00   0.00  -0.00     0.02  -0.04   0.02     0.01   0.02  -0.11
    12   6    -0.00  -0.00  -0.00     0.00   0.03   0.00    -0.01  -0.01   0.04
    13   6     0.00  -0.00   0.00    -0.01   0.01  -0.02     0.03  -0.00   0.18
    14   1    -0.00   0.00   0.00     0.13  -0.05  -0.03    -0.07   0.02  -0.06
    15   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.06  -0.14   0.03
    16   1     0.00  -0.00   0.00    -0.02   0.05  -0.02     0.02   0.10  -0.09
    17   1    -0.00   0.00   0.00     0.00  -0.03  -0.00     0.00   0.07  -0.10
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.05   0.02  -0.01
    19   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.07  -0.02  -0.04
    20   1    -0.00  -0.00  -0.00     0.03   0.01   0.10    -0.16  -0.02  -0.55
    21   6    -0.00  -0.00   0.00     0.03   0.02   0.01     0.03  -0.01   0.00
    22   6     0.00   0.00   0.00     0.02  -0.02  -0.00     0.05   0.01   0.01
    23   6    -0.00   0.00   0.00     0.04   0.00   0.01    -0.01  -0.00  -0.00
    24   8     0.01   0.01  -0.06    -0.03   0.03   0.00    -0.02   0.03   0.00
    25   6    -0.02  -0.02   0.13     0.00  -0.03  -0.00    -0.03  -0.04  -0.01
    26   1     0.00   0.00  -0.00    -0.17  -0.06  -0.03    -0.34  -0.14  -0.07
    27   1     0.00   0.00  -0.01     0.21  -0.12   0.00     0.13  -0.09  -0.00
    28   1     0.00   0.00  -0.02    -0.09  -0.05  -0.02    -0.33  -0.13  -0.06
    29   1     0.03   0.05  -0.28    -0.02   0.07   0.01    -0.08   0.24   0.03
    30   1    -0.22   0.63  -0.10     0.03  -0.02  -0.01     0.12  -0.05  -0.02
    31   1     0.26  -0.56  -0.25     0.03  -0.02   0.01     0.11  -0.06   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.3352              1198.5238              1222.2210
 Red. masses --      1.6145                 1.7016                 1.7332
 Frc consts  --      1.3614                 1.4402                 1.5254
 IR Inten    --     28.3420                11.5245                17.9334
 RamAct Fr= 1--     48.9552                11.5568                 3.0842
  Dep-P Fr= 1--      0.1585                 0.6553                 0.2832
  Dep-U Fr= 1--      0.2737                 0.7918                 0.4414
 Alpha2 Fr= 1--      0.7406                 0.0196                 0.0332
 Beta2  Fr= 1--      2.2329                 1.5251                 0.2269
 AlphaG Fr= 1--     -0.0761                -0.0239                -0.0369
 Gamma2 Fr= 1--     11.6882                 6.0301                 0.1833
 Delta2 Fr= 1--      1.9289                -0.5457                 0.0870
 Raman1 Fr= 1--     195.821                 46.227                 12.337
 ROA1   Fr= 1--    1183.795                561.427                 20.380
 CID1   Fr= 1--       6.045                 12.145                  1.652
 Raman2 Fr= 1--      26.795                 18.301                  2.723
 ROA2   Fr= 1--     265.086                149.088                  3.703
 CID2   Fr= 1--       9.893                  8.147                  1.360
 Raman3 Fr= 1--      53.590                 36.601                  5.446
 ROA3   Fr= 1--    1183.795                561.427                 20.380
 CID3   Fr= 1--      22.090                 15.339                  3.742
 RC180  Fr= 1--      -0.453                  0.584                 -0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.01    -0.06  -0.03  -0.01    -0.07  -0.04  -0.02
     2   6    -0.02  -0.01  -0.00    -0.06  -0.04  -0.01    -0.11  -0.06  -0.03
     3   6     0.02   0.01   0.00     0.02  -0.01  -0.01     0.03   0.01   0.00
     4   6     0.15  -0.07   0.01    -0.00  -0.02   0.02     0.03  -0.04   0.00
     5   6     0.00   0.05   0.01    -0.02   0.02  -0.00     0.01   0.03   0.01
     6   6    -0.01   0.03   0.00     0.03   0.03   0.01     0.00   0.05   0.01
     7   6    -0.02  -0.04  -0.01     0.03   0.01   0.01     0.00   0.03   0.01
     8   1    -0.45  -0.17  -0.08     0.10   0.02   0.05     0.13   0.04   0.03
     9   1    -0.27   0.26   0.01    -0.10   0.09   0.02     0.08  -0.01   0.01
    10   1     0.01   0.04   0.01     0.32   0.15   0.07     0.19   0.13   0.05
    11   6    -0.10   0.05   0.01     0.04   0.02  -0.08     0.00   0.02  -0.01
    12   6     0.02  -0.04  -0.03    -0.03  -0.01   0.03    -0.01  -0.01  -0.00
    13   6     0.01  -0.02  -0.03     0.02  -0.00   0.13     0.00  -0.01   0.02
    14   1    -0.39   0.14   0.06     0.01   0.01  -0.05    -0.10   0.04   0.02
    15   1    -0.05   0.11  -0.01     0.07  -0.12   0.04     0.02  -0.00   0.01
    16   1    -0.03  -0.13   0.08     0.05   0.06  -0.07     0.03  -0.03   0.00
    17   1     0.01  -0.02   0.08    -0.01   0.09  -0.10    -0.01   0.03  -0.01
    18   8    -0.01   0.00  -0.00     0.03   0.01  -0.01     0.00   0.00  -0.00
    19   8     0.01   0.01   0.00    -0.05  -0.01  -0.03    -0.01  -0.00  -0.00
    20   1     0.03   0.00   0.10    -0.12  -0.01  -0.39    -0.02   0.00  -0.05
    21   6     0.01  -0.01  -0.00    -0.02   0.01  -0.00     0.00   0.01   0.00
    22   6    -0.04   0.00  -0.00    -0.07  -0.01  -0.01     0.01  -0.01  -0.00
    23   6     0.01   0.01   0.00     0.02   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.09   0.03   0.02
    25   6     0.01   0.03   0.01     0.05   0.06   0.02    -0.13  -0.04  -0.02
    26   1    -0.34  -0.16  -0.07     0.26   0.10   0.05     0.07   0.06   0.02
    27   1     0.22  -0.18  -0.00    -0.03   0.02  -0.00     0.08  -0.05   0.00
    28   1     0.25   0.10   0.05     0.43   0.16   0.08     0.26   0.06   0.04
    29   1     0.04  -0.13  -0.02     0.14  -0.38  -0.05    -0.25   0.59   0.07
    30   1    -0.05   0.02   0.01    -0.19   0.08   0.04     0.38  -0.14  -0.06
    31   1    -0.05   0.03  -0.02    -0.18   0.10  -0.05     0.36  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1251.8686              1297.6251              1302.0309
 Red. masses --      2.3392                 1.9761                 1.7375
 Frc consts  --      2.1599                 1.9605                 1.7355
 IR Inten    --    150.6374                85.2340                19.9386
 RamAct Fr= 1--      5.1371                 7.0821                10.0446
  Dep-P Fr= 1--      0.2446                 0.3165                 0.4311
  Dep-U Fr= 1--      0.3930                 0.4809                 0.6025
 Alpha2 Fr= 1--      0.0618                 0.0691                 0.0663
 Beta2  Fr= 1--      0.3365                 0.5676                 1.0086
 AlphaG Fr= 1--      0.0708                 0.0513                -0.0441
 Gamma2 Fr= 1--      0.0017                 2.9208                -9.0754
 Delta2 Fr= 1--     -0.4732                 0.4234                -1.1232
 Raman1 Fr= 1--      20.549                 28.328                 40.178
 ROA1   Fr= 1--     -14.980                293.949               -907.181
 CID1   Fr= 1--      -0.729                 10.377                -22.579
 Raman2 Fr= 1--       4.038                  6.811                 12.103
 ROA2   Fr= 1--       3.826                 66.713               -208.823
 CID2   Fr= 1--       0.948                  9.795                -17.254
 Raman3 Fr= 1--       8.076                 13.622                 24.206
 ROA3   Fr= 1--     -14.980                293.949               -907.181
 CID3   Fr= 1--      -1.855                 21.579                -37.478
 RC180  Fr= 1--      -0.214                 -0.038                  0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.10   0.04     0.02  -0.07  -0.01    -0.05   0.11   0.01
     2   6     0.01   0.01   0.00     0.15  -0.03   0.01    -0.01   0.12   0.02
     3   6    -0.04  -0.04  -0.01    -0.05   0.02  -0.00     0.03  -0.04  -0.01
     4   6    -0.09   0.11  -0.01     0.03  -0.01   0.01    -0.03  -0.01   0.01
     5   6     0.01  -0.01   0.00    -0.02  -0.03  -0.01     0.02  -0.01  -0.00
     6   6    -0.00  -0.04  -0.01     0.01   0.04   0.01    -0.00  -0.05  -0.01
     7   6     0.01  -0.06  -0.01    -0.02  -0.01  -0.00    -0.01  -0.07  -0.01
     8   1    -0.46  -0.19  -0.10     0.01   0.04   0.02     0.44   0.11   0.09
     9   1     0.06  -0.06  -0.01    -0.32   0.20   0.00    -0.03   0.03   0.02
    10   1     0.33   0.09   0.06    -0.00   0.03   0.01    -0.31  -0.18  -0.07
    11   6    -0.02  -0.04   0.01     0.03   0.01  -0.02     0.05   0.04  -0.07
    12   6     0.02   0.02   0.01    -0.01  -0.01   0.00    -0.01   0.01   0.04
    13   6    -0.01   0.01   0.01     0.00  -0.01  -0.00     0.00  -0.02  -0.02
    14   1     0.39  -0.13  -0.10    -0.27  -0.01   0.15    -0.25  -0.34   0.44
    15   1    -0.04  -0.02  -0.03     0.02  -0.01   0.02     0.03  -0.12   0.02
    16   1    -0.07   0.08  -0.02     0.03  -0.00  -0.01     0.04   0.09  -0.06
    17   1     0.02  -0.06   0.02    -0.01   0.03  -0.03     0.01  -0.06  -0.10
    18   8     0.01  -0.00  -0.00    -0.02  -0.00   0.00    -0.03  -0.01   0.00
    19   8     0.00  -0.00  -0.00     0.01   0.00  -0.01     0.01   0.01  -0.01
    20   1     0.01  -0.00   0.05     0.02  -0.00   0.09     0.05  -0.00   0.18
    21   6    -0.02  -0.05  -0.01    -0.02   0.01  -0.00     0.02   0.01   0.00
    22   6    -0.12   0.07  -0.00    -0.12   0.11   0.00    -0.07   0.02  -0.00
    23   6    -0.07  -0.05  -0.02    -0.07  -0.01  -0.01     0.03  -0.05  -0.01
    24   8     0.11  -0.03   0.01     0.09  -0.04   0.00     0.03  -0.01   0.00
    25   6    -0.05   0.04   0.00    -0.03   0.04   0.00    -0.01   0.02   0.00
    26   1    -0.09  -0.11  -0.03     0.58   0.22   0.11    -0.13  -0.12  -0.04
    27   1    -0.21   0.09  -0.01     0.13  -0.12  -0.01     0.09  -0.06   0.00
    28   1     0.39   0.12   0.07    -0.44  -0.14  -0.08     0.28   0.05   0.04
    29   1    -0.04   0.04   0.00    -0.01  -0.01  -0.00     0.00  -0.05  -0.01
    30   1     0.14  -0.05  -0.00     0.09  -0.05   0.01     0.05  -0.03   0.00
    31   1     0.14  -0.06   0.02     0.09  -0.04  -0.00     0.05  -0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1305.0618              1328.0274              1342.4154
 Red. masses --      1.5657                 1.7304                 1.7761
 Frc consts  --      1.5712                 1.7981                 1.8858
 IR Inten    --     32.5200               252.5440                12.8637
 RamAct Fr= 1--     14.2465                 1.9567                13.0411
  Dep-P Fr= 1--      0.3533                 0.0555                 0.2349
  Dep-U Fr= 1--      0.5221                 0.1051                 0.3805
 Alpha2 Fr= 1--      0.1238                 0.0381                 0.1612
 Beta2  Fr= 1--      1.2397                 0.0343                 0.8269
 AlphaG Fr= 1--      0.0840                 0.0427                 0.1351
 Gamma2 Fr= 1--      6.1686                -0.2020                 0.3349
 Delta2 Fr= 1--     -1.5158                 0.0469                -1.3663
 Raman1 Fr= 1--      56.986                  7.827                 52.165
 ROA1   Fr= 1--     543.675                -17.891                -11.574
 CID1   Fr= 1--       9.540                 -2.286                 -0.222
 Raman2 Fr= 1--      14.876                  0.411                  9.923
 ROA2   Fr= 1--     160.172                 -5.223                 18.967
 CID2   Fr= 1--      10.767                -12.693                  1.911
 Raman3 Fr= 1--      29.752                  0.823                 19.847
 ROA3   Fr= 1--     543.675                -17.891                -11.574
 CID3   Fr= 1--      18.274                -21.742                 -0.583
 RC180  Fr= 1--       0.044                 -0.790                 -0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05  -0.00     0.00   0.00   0.00    -0.09  -0.02  -0.01
     2   6    -0.01  -0.08  -0.02    -0.00   0.00   0.00    -0.03   0.01  -0.00
     3   6    -0.02   0.03  -0.00     0.00   0.00  -0.00     0.06  -0.03   0.00
     4   6    -0.02   0.01   0.02    -0.00  -0.00   0.00     0.10   0.05   0.00
     5   6    -0.02   0.02  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
     6   6    -0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     7   6     0.01   0.05   0.01     0.00   0.00   0.00    -0.03  -0.02  -0.01
     8   1    -0.35  -0.09  -0.04     0.01   0.01   0.02    -0.16  -0.12  -0.04
     9   1     0.08  -0.06   0.01     0.02  -0.02   0.00     0.11  -0.10  -0.01
    10   1     0.29   0.13   0.06    -0.02  -0.01  -0.00    -0.04  -0.00  -0.01
    11   6     0.06   0.05  -0.09     0.02  -0.01  -0.02    -0.16   0.04  -0.04
    12   6    -0.00   0.00   0.05    -0.01  -0.02  -0.01     0.06   0.01   0.05
    13   6     0.01  -0.02  -0.02     0.02   0.01   0.19     0.01  -0.01   0.03
    14   1    -0.27  -0.43   0.54     0.01   0.24  -0.25     0.56  -0.46   0.09
    15   1     0.02  -0.13   0.02     0.00   0.08   0.03    -0.16  -0.08  -0.09
    16   1     0.01   0.14  -0.09     0.03   0.00  -0.04    -0.18   0.16  -0.03
    17   1     0.02  -0.00  -0.10    -0.01   0.09  -0.03     0.07  -0.10  -0.04
    18   8    -0.04  -0.01   0.00    -0.04  -0.01  -0.03     0.01   0.00  -0.01
    19   8     0.01   0.01  -0.01     0.01   0.01  -0.13    -0.00   0.00  -0.02
    20   1     0.06   0.00   0.20     0.21   0.01   0.87     0.03   0.01   0.13
    21   6    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    22   6     0.07  -0.04   0.00     0.01  -0.01  -0.00     0.01   0.03   0.01
    23   6    -0.01   0.04   0.00     0.00   0.00   0.00     0.05  -0.02   0.00
    24   8    -0.04   0.02  -0.00    -0.01   0.00  -0.00    -0.01  -0.01  -0.00
    25   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    26   1    -0.09   0.01  -0.01    -0.03  -0.01  -0.00     0.28   0.10   0.05
    27   1    -0.15   0.10  -0.00    -0.02   0.01   0.00     0.24  -0.16   0.00
    28   1    -0.09   0.01  -0.01    -0.00   0.00   0.00    -0.13  -0.09  -0.03
    29   1     0.00   0.03   0.01     0.00   0.00   0.00     0.01   0.00   0.00
    30   1    -0.05   0.03  -0.01    -0.01  -0.00   0.00    -0.02   0.00   0.01
    31   1    -0.05   0.02   0.00    -0.00  -0.00  -0.00    -0.02   0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.7297              1407.3526              1412.7108
 Red. masses --      1.8058                 4.8688                 1.2713
 Frc consts  --      2.0431                 5.6817                 1.4948
 IR Inten    --     15.0501                 3.5742                12.5193
 RamAct Fr= 1--     14.5652               647.6481                15.9041
  Dep-P Fr= 1--      0.2030                 0.2213                 0.2015
  Dep-U Fr= 1--      0.3375                 0.3624                 0.3354
 Alpha2 Fr= 1--      0.1962                 8.3063                 0.2151
 Beta2  Fr= 1--      0.8194                39.1232                 0.8890
 AlphaG Fr= 1--     -0.2517                 2.8295                 0.1624
 Gamma2 Fr= 1--      1.3913                 7.1324                -1.3992
 Delta2 Fr= 1--      1.9606                -3.6003                -1.4344
 Raman1 Fr= 1--      58.261               2590.592                 63.616
 ROA1   Fr= 1--     196.301                569.499               -180.223
 CID1   Fr= 1--       3.369                  0.220                 -2.833
 Raman2 Fr= 1--       9.832                469.479                 10.668
 ROA2   Fr= 1--      17.705                199.979                -22.106
 CID2   Fr= 1--       1.801                  0.426                 -2.072
 Raman3 Fr= 1--      19.665                938.958                 21.336
 ROA3   Fr= 1--     196.301                569.499               -180.223
 CID3   Fr= 1--       9.982                  0.607                 -8.447
 RC180  Fr= 1--      -0.325                 -0.275                 -0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06  -0.01    -0.10   0.28   0.04    -0.02   0.02   0.00
     2   6     0.06  -0.01   0.01     0.08  -0.27  -0.04     0.01  -0.01  -0.00
     3   6    -0.06   0.05   0.00     0.15   0.07   0.03     0.02   0.01   0.00
     4   6     0.02  -0.09  -0.03    -0.09  -0.20  -0.05    -0.02  -0.01  -0.00
     5   6     0.01  -0.04  -0.01    -0.17   0.10  -0.00    -0.04   0.01  -0.00
     6   6     0.06   0.06   0.02     0.16   0.04   0.03     0.03  -0.01   0.00
     7   6     0.05   0.06   0.02    -0.03  -0.07  -0.02     0.01  -0.01  -0.00
     8   1     0.15   0.14   0.04     0.09   0.06   0.02     0.00   0.00  -0.00
     9   1    -0.38   0.26  -0.00     0.07  -0.09  -0.01     0.03  -0.04  -0.00
    10   1    -0.35  -0.10  -0.06     0.13   0.02   0.02    -0.02  -0.03  -0.01
    11   6    -0.07   0.05  -0.01     0.00   0.03  -0.00     0.02  -0.00   0.01
    12   6     0.02   0.01   0.02    -0.02   0.05  -0.00     0.04  -0.12   0.04
    13   6     0.00  -0.00   0.01     0.00  -0.00   0.02    -0.01  -0.00  -0.03
    14   1     0.45  -0.24   0.01     0.36  -0.13  -0.03    -0.02   0.02   0.00
    15   1    -0.05  -0.06  -0.03     0.13  -0.18   0.01    -0.34   0.46   0.02
    16   1    -0.05   0.04   0.00     0.12  -0.10   0.09    -0.24   0.35  -0.32
    17   1     0.02  -0.05  -0.03    -0.02  -0.21   0.04     0.04   0.57  -0.19
    18   8     0.01   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    20   1     0.01  -0.00   0.04     0.00   0.01   0.01    -0.01  -0.00  -0.04
    21   6     0.02  -0.01  -0.00     0.03  -0.04  -0.00    -0.00   0.00  -0.00
    22   6    -0.04  -0.12  -0.03     0.01   0.11   0.02    -0.01  -0.01  -0.00
    23   6    -0.07   0.06   0.00    -0.05   0.00  -0.01    -0.00   0.01   0.00
    24   8     0.02   0.02   0.01    -0.00  -0.01  -0.00     0.01  -0.00   0.00
    25   6    -0.02   0.00  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.22  -0.04  -0.03    -0.29  -0.18  -0.07    -0.04  -0.03  -0.01
    27   1    -0.30   0.24   0.01     0.06  -0.07  -0.01    -0.01   0.00  -0.00
    28   1     0.16   0.16   0.05    -0.41  -0.14  -0.07    -0.04  -0.00  -0.01
    29   1    -0.02  -0.01  -0.00     0.01   0.04   0.01    -0.00  -0.01  -0.00
    30   1     0.07  -0.02  -0.01    -0.05   0.01   0.01     0.02  -0.01   0.00
    31   1     0.07  -0.02   0.02    -0.05   0.02  -0.02     0.02  -0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1427.1913              1454.1039              1476.8079
 Red. masses --      3.3694                 3.6749                 1.2392
 Frc consts  --      4.0436                 4.5781                 1.5924
 IR Inten    --     75.6317                11.1073                 6.1647
 RamAct Fr= 1--     83.5839               177.5988                12.0816
  Dep-P Fr= 1--      0.1911                 0.2335                 0.5820
  Dep-U Fr= 1--      0.3209                 0.3786                 0.7358
 Alpha2 Fr= 1--      1.1621                 2.2035                 0.0380
 Beta2  Fr= 1--      4.4700                11.2061                 1.4816
 AlphaG Fr= 1--     -0.2203                -0.6427                 0.0211
 Gamma2 Fr= 1--      1.2234                 1.3632                 1.8220
 Delta2 Fr= 1--      7.8857                -0.6902                 0.0408
 Raman1 Fr= 1--     334.336                710.395                 48.326
 ROA1   Fr= 1--     369.786                108.785                176.221
 CID1   Fr= 1--       1.106                  0.153                  3.646
 Raman2 Fr= 1--      53.640                134.474                 17.779
 ROA2   Fr= 1--     -33.725                 38.239                 43.403
 CID2   Fr= 1--      -0.629                  0.284                  2.441
 Raman3 Fr= 1--     107.279                268.947                 35.558
 ROA3   Fr= 1--     369.786                108.785                176.221
 CID3   Fr= 1--       3.447                  0.404                  4.956
 RC180  Fr= 1--      -0.358                 -0.243                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.19   0.00  -0.02     0.02  -0.00   0.00
     2   6     0.05  -0.10  -0.01     0.18  -0.01   0.02    -0.00   0.02   0.00
     3   6    -0.10  -0.07  -0.02     0.11  -0.06   0.00     0.02   0.02   0.00
     4   6     0.08   0.02   0.01     0.04   0.19   0.04    -0.03   0.00  -0.00
     5   6     0.13  -0.04   0.01    -0.12  -0.05  -0.02    -0.01  -0.02  -0.00
     6   6    -0.13   0.05  -0.01     0.10  -0.00   0.01     0.04   0.01   0.01
     7   6    -0.15   0.02  -0.01    -0.12   0.02  -0.01    -0.00  -0.03  -0.00
     8   1     0.52   0.16   0.09    -0.32  -0.23  -0.08    -0.10  -0.03  -0.02
     9   1    -0.17   0.21   0.02     0.11  -0.24  -0.03    -0.08   0.04  -0.00
    10   1     0.23   0.21   0.07    -0.13  -0.10  -0.03    -0.14  -0.06  -0.03
    11   6    -0.04   0.01   0.00     0.02  -0.05  -0.01     0.01  -0.00   0.00
    12   6     0.02  -0.03   0.02     0.00   0.02  -0.02    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.04  -0.03   0.00    -0.33   0.12   0.01     0.00  -0.00   0.00
    15   1    -0.13   0.11  -0.02     0.04  -0.07  -0.02     0.03   0.01   0.02
    16   1    -0.05   0.08  -0.07    -0.02  -0.06   0.07    -0.00   0.02  -0.02
    17   1     0.02   0.09  -0.09    -0.01  -0.04   0.06    -0.01   0.00   0.03
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01  -0.01   0.03    -0.01   0.01  -0.02     0.00   0.00   0.00
    21   6     0.16  -0.09   0.00     0.16   0.02   0.02    -0.04   0.04   0.00
    22   6     0.13   0.14   0.04     0.00  -0.15  -0.03    -0.01  -0.02  -0.00
    23   6    -0.14  -0.10  -0.03    -0.15   0.03  -0.01    -0.03  -0.01  -0.00
    24   8    -0.06   0.00  -0.01    -0.00   0.04   0.01     0.03  -0.02   0.00
    25   6     0.04  -0.04  -0.00    -0.03  -0.01  -0.00     0.05  -0.08  -0.01
    26   1     0.01   0.10   0.02     0.10   0.13   0.03     0.12   0.02   0.02
    27   1    -0.11   0.14   0.01    -0.11   0.26   0.03     0.11  -0.08  -0.00
    28   1     0.30   0.06   0.05     0.36   0.23   0.09     0.14   0.06   0.03
    29   1    -0.00   0.14   0.02    -0.01  -0.11  -0.02    -0.08   0.56   0.09
    30   1    -0.16   0.14  -0.03     0.14   0.05  -0.05    -0.31   0.40  -0.13
    31   1    -0.17   0.13   0.04     0.12   0.02   0.09    -0.35   0.34   0.18
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1493.4721              1497.9606              1506.0665
 Red. masses --      1.0460                 1.0491                 1.0643
 Frc consts  --      1.3746                 1.3870                 1.4224
 IR Inten    --      8.7972                11.2825                37.1904
 RamAct Fr= 1--      8.5631                 3.8133                 1.4975
  Dep-P Fr= 1--      0.7493                 0.7491                 0.7475
  Dep-U Fr= 1--      0.8567                 0.8566                 0.8555
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0001
 Beta2  Fr= 1--      1.2227                 0.5444                 0.2135
 AlphaG Fr= 1--     -0.0091                -0.0034                 0.0010
 Gamma2 Fr= 1--      0.1933                 0.4631                -0.4394
 Delta2 Fr= 1--     -0.1684                -1.1502                 0.0058
 Raman1 Fr= 1--      34.252                 15.253                  5.990
 ROA1   Fr= 1--      13.169                  7.646                -41.996
 CID1   Fr= 1--       0.384                  0.501                 -7.011
 Raman2 Fr= 1--      14.672                  6.533                  2.562
 ROA2   Fr= 1--       5.987                 20.315                -10.592
 CID2   Fr= 1--       0.408                  3.110                 -4.134
 Raman3 Fr= 1--      29.344                 13.066                  5.124
 ROA3   Fr= 1--      13.169                  7.646                -41.996
 CID3   Fr= 1--       0.449                  0.585                 -8.195
 RC180  Fr= 1--       0.713                  0.713                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.01   0.01   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.02  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.02  -0.01  -0.00
     7   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.02   0.02   0.01
     9   1    -0.00   0.00  -0.00    -0.03   0.02   0.00     0.03  -0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00     0.05   0.02   0.01
    11   6     0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.03    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.05  -0.07   0.01     0.03  -0.00  -0.00
    15   1     0.00   0.00   0.00     0.52   0.29   0.35    -0.02   0.03   0.00
    16   1     0.00   0.00  -0.00     0.04   0.32  -0.37     0.05  -0.00  -0.01
    17   1    -0.00  -0.00   0.00    -0.08  -0.16   0.48     0.01  -0.03  -0.05
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    22   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    24   8     0.00   0.00  -0.01    -0.01   0.00  -0.00    -0.02  -0.01  -0.00
    25   6     0.01   0.01  -0.06    -0.00   0.00   0.00    -0.04  -0.03  -0.01
    26   1     0.00   0.00  -0.00     0.02   0.01   0.00     0.02  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.03  -0.00
    28   1     0.00   0.00  -0.03     0.01   0.00   0.00    -0.04  -0.01  -0.01
    29   1    -0.09  -0.12   0.70     0.01  -0.04  -0.01     0.04  -0.36  -0.06
    30   1    -0.48   0.07   0.02     0.03  -0.02   0.00     0.36   0.48  -0.26
    31   1     0.47  -0.09   0.11     0.03  -0.02  -0.00     0.27   0.35   0.48
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.3555              1525.3906              1544.4454
 Red. masses --      1.0532                 2.4071                 3.5186
 Frc consts  --      1.4156                 3.2999                 4.9450
 IR Inten    --      7.2695                46.7227                34.2361
 RamAct Fr= 1--      8.6160               134.2340                 0.6078
  Dep-P Fr= 1--      0.4585                 0.2438                 0.7222
  Dep-U Fr= 1--      0.6287                 0.3920                 0.8387
 Alpha2 Fr= 1--      0.0510                 1.6189                 0.0003
 Beta2  Fr= 1--      0.9028                 8.7692                 0.0850
 AlphaG Fr= 1--      0.1330                 0.2202                 0.0107
 Gamma2 Fr= 1--      3.1274                 0.5056                 1.7467
 Delta2 Fr= 1--      2.6114                -1.7765                -0.2552
 Raman1 Fr= 1--      34.464                536.936                  2.431
 ROA1   Fr= 1--     383.796                 -8.309                159.513
 CID1   Fr= 1--      11.136                 -0.015                 65.608
 Raman2 Fr= 1--      10.834                105.231                  1.020
 ROA2   Fr= 1--      54.167                 26.347                 43.961
 CID2   Fr= 1--       5.000                  0.250                 43.116
 Raman3 Fr= 1--      21.668                210.461                  2.039
 ROA3   Fr= 1--     383.796                 -8.309                159.513
 CID3   Fr= 1--      17.713                 -0.039                 78.224
 RC180  Fr= 1--       0.257                 -0.216                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.09   0.03   0.02    -0.12  -0.04  -0.02
     2   6     0.00   0.00   0.00    -0.10  -0.04  -0.02    -0.14  -0.08  -0.03
     3   6     0.00  -0.00   0.00     0.06   0.04   0.01     0.06  -0.05  -0.00
     4   6     0.01   0.01  -0.00    -0.12   0.01  -0.01    -0.04   0.17   0.03
     5   6    -0.00  -0.00  -0.00     0.06  -0.09  -0.01     0.07  -0.14  -0.02
     6   6     0.00  -0.00   0.00     0.09   0.08   0.03     0.11   0.12   0.03
     7   6    -0.00  -0.00  -0.00    -0.10  -0.06  -0.02     0.12   0.10   0.03
     8   1    -0.05  -0.02  -0.01    -0.22  -0.06  -0.03    -0.16  -0.14  -0.04
     9   1     0.01  -0.01  -0.00    -0.36   0.23   0.00    -0.33   0.15  -0.01
    10   1    -0.00  -0.00  -0.00    -0.35  -0.09  -0.06    -0.39  -0.07  -0.06
    11   6    -0.02  -0.01   0.02     0.03  -0.00   0.01     0.02  -0.03  -0.00
    12   6    -0.03   0.00   0.04     0.00   0.00   0.00     0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.01
    14   1     0.02   0.02  -0.02     0.02   0.01  -0.00    -0.13   0.04   0.01
    15   1    -0.13   0.36   0.08    -0.07  -0.02  -0.04    -0.00   0.03   0.00
    16   1     0.64   0.02  -0.20     0.01  -0.03   0.04     0.03   0.00  -0.01
    17   1     0.05  -0.39  -0.48     0.01   0.04  -0.07     0.01  -0.03  -0.01
    18   8     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.01     0.01   0.00   0.01    -0.00   0.01  -0.00
    21   6    -0.00   0.00   0.00    -0.05   0.08   0.01     0.04  -0.14  -0.02
    22   6    -0.00  -0.01  -0.00     0.16  -0.01   0.02    -0.06   0.18   0.03
    23   6    -0.00   0.00   0.00    -0.05  -0.04  -0.01     0.09  -0.04   0.00
    24   8     0.00   0.00   0.00    -0.05   0.02  -0.00     0.00  -0.03  -0.00
    25   6     0.00   0.00   0.00    -0.02   0.03   0.00     0.01  -0.01  -0.00
    26   1     0.01   0.00   0.00     0.34   0.10   0.06    -0.40  -0.10  -0.07
    27   1     0.00   0.00   0.00     0.30  -0.19   0.00    -0.28   0.10  -0.02
    28   1     0.01   0.01   0.00     0.21   0.05   0.04    -0.24  -0.18  -0.06
    29   1    -0.01   0.04   0.01     0.03  -0.26  -0.04     0.02  -0.04  -0.00
    30   1    -0.03  -0.04   0.02     0.15  -0.18   0.06     0.02   0.15  -0.06
    31   1    -0.02  -0.03  -0.04     0.16  -0.16  -0.08     0.00   0.12   0.11
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1616.9798              1653.3001              1672.5286
 Red. masses --      6.9561                 5.5336                 6.1136
 Frc consts  --     10.7158                 8.9117                10.0762
 IR Inten    --      2.5330               118.0767                58.5160
 RamAct Fr= 1--     49.0226                 7.6072               181.2211
  Dep-P Fr= 1--      0.2087                 0.4586                 0.4646
  Dep-U Fr= 1--      0.3453                 0.6288                 0.6344
 Alpha2 Fr= 1--      0.6505                 0.0450                 1.0463
 Beta2  Fr= 1--      2.8215                 0.7972                19.1626
 AlphaG Fr= 1--      0.7785                 0.0887                 0.3497
 Gamma2 Fr= 1--     -1.6100                -0.2647                -8.2791
 Delta2 Fr= 1--     -2.1272                -4.1331                 8.7890
 Raman1 Fr= 1--     196.091                 30.429                724.884
 ROA1   Fr= 1--    -222.630               -157.668               -513.544
 CID1   Fr= 1--      -1.135                 -5.182                 -0.708
 Raman2 Fr= 1--      33.858                  9.567                229.951
 ROA2   Fr= 1--     -21.622                 26.713               -269.010
 CID2   Fr= 1--      -0.639                  2.792                 -1.170
 Raman3 Fr= 1--      67.716                 19.133                459.902
 ROA3   Fr= 1--    -222.630               -157.668               -513.544
 CID3   Fr= 1--      -3.288                 -8.240                 -1.117
 RC180  Fr= 1--      -0.309                  0.258                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.28   0.04    -0.03   0.01  -0.00    -0.24  -0.06  -0.04
     2   6     0.07  -0.28  -0.04    -0.01   0.01   0.00     0.23   0.05   0.04
     3   6    -0.11  -0.17  -0.04     0.20   0.12   0.05     0.20   0.08   0.04
     4   6     0.04   0.21   0.05    -0.19  -0.11  -0.04    -0.13  -0.06  -0.03
     5   6     0.17  -0.14  -0.01     0.22  -0.05   0.02     0.18  -0.04   0.01
     6   6    -0.13   0.09   0.00    -0.21  -0.01  -0.03    -0.23  -0.04  -0.04
     7   6     0.12  -0.10  -0.00    -0.22  -0.01  -0.03     0.25   0.05   0.04
     8   1     0.35   0.01   0.04    -0.33  -0.07  -0.05    -0.31  -0.10  -0.05
     9   1    -0.17   0.14   0.00    -0.20   0.29   0.03    -0.12   0.20   0.02
    10   1     0.10   0.19   0.05     0.16   0.15   0.05     0.25   0.16   0.06
    11   6    -0.00  -0.02  -0.00     0.03   0.01   0.01     0.01   0.01   0.01
    12   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    14   1    -0.14   0.03   0.01     0.10  -0.01  -0.01     0.07  -0.01  -0.01
    15   1     0.01   0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.00  -0.00
    16   1    -0.04   0.01  -0.00     0.01  -0.01   0.00     0.02  -0.00  -0.00
    17   1     0.00   0.00   0.03     0.00   0.03  -0.03     0.00   0.01  -0.02
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.01  -0.00  -0.01     0.01   0.00   0.02     0.01   0.01   0.03
    21   6    -0.18   0.17   0.01     0.23  -0.04   0.02    -0.20   0.04  -0.02
    22   6    -0.05  -0.27  -0.05    -0.19  -0.11  -0.04     0.13   0.07   0.03
    23   6     0.10   0.19   0.05     0.18   0.11   0.04    -0.20  -0.08  -0.04
    24   8     0.03   0.01   0.01     0.03   0.01   0.01    -0.01  -0.01  -0.00
    25   6    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    26   1    -0.05  -0.18  -0.04     0.16   0.16   0.05    -0.28  -0.17  -0.06
    27   1     0.18  -0.13  -0.00    -0.17   0.29   0.03     0.09  -0.21  -0.03
    28   1    -0.35   0.03  -0.04    -0.30  -0.05  -0.05     0.29   0.10   0.05
    29   1    -0.03   0.05   0.01    -0.01   0.10   0.02     0.00  -0.05  -0.01
    30   1     0.01  -0.01  -0.00    -0.05   0.05  -0.03     0.02  -0.05   0.02
    31   1     0.01  -0.01   0.00    -0.05   0.05   0.03     0.03  -0.04  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.0161              3011.4000              3045.9794
 Red. masses --     10.0676                 1.0345                 1.0361
 Frc consts  --     19.9518                 5.5273                 5.6636
 IR Inten    --    481.7374                47.0011                12.7207
 RamAct Fr= 1--     15.9652               204.2756               189.6534
  Dep-P Fr= 1--      0.3267                 0.0541                 0.0194
  Dep-U Fr= 1--      0.4925                 0.1026                 0.0380
 Alpha2 Fr= 1--      0.1509                 3.9962                 4.0275
 Beta2  Fr= 1--      1.3105                 3.4924                 1.2024
 AlphaG Fr= 1--      0.3472                -0.4674                 0.4179
 Gamma2 Fr= 1--      0.9905                -1.3647                 2.0442
 Delta2 Fr= 1--      0.6371                 1.1530                 0.3460
 Raman1 Fr= 1--      63.861                817.102                758.614
 ROA1   Fr= 1--     115.478                -94.120                207.314
 CID1   Fr= 1--       1.808                 -0.115                  0.273
 Raman2 Fr= 1--      15.726                 41.908                 14.428
 ROA2   Fr= 1--      18.676                -41.978                 46.293
 CID2   Fr= 1--       1.188                 -1.002                  3.208
 Raman3 Fr= 1--      31.452                 83.816                 28.857
 ROA3   Fr= 1--     115.478                -94.120                207.314
 CID3   Fr= 1--       3.672                 -1.123                  7.184
 RC180  Fr= 1--      -0.015                 -0.795                 -0.924
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.02  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.02   0.00
     9   1    -0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1     0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.04  -0.01   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    12   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.01
    13   6     0.69   0.22  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.13   0.06  -0.11    -0.00  -0.00  -0.00     0.04   0.08   0.08
    15   1    -0.06   0.06  -0.01     0.00   0.00  -0.00    -0.25  -0.15   0.50
    16   1     0.00   0.00  -0.02     0.00   0.00   0.00    -0.15  -0.45  -0.47
    17   1     0.02   0.04  -0.05    -0.00  -0.00  -0.00     0.44   0.02   0.06
    18   8    -0.44  -0.14   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.08  -0.00  -0.45     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.29  -0.05  -0.05    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.10   0.24   0.63     0.00   0.00   0.00
    31   1    -0.00  -0.00  -0.00     0.23   0.43  -0.47     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.4980              3068.0720              3109.7275
 Red. masses --      1.0831                 1.1058                 1.1017
 Frc consts  --      5.9929                 6.1328                 6.2771
 IR Inten    --      5.5271                32.6950                18.8235
 RamAct Fr= 1--     73.6388                48.9502                47.0203
  Dep-P Fr= 1--      0.3038                 0.7499                 0.3690
  Dep-U Fr= 1--      0.4661                 0.8571                 0.5391
 Alpha2 Fr= 1--      0.7467                 0.0001                 0.3877
 Beta2  Fr= 1--      5.7199                 6.9925                 4.2247
 AlphaG Fr= 1--      1.6852                -0.0527                -1.1549
 Gamma2 Fr= 1--     -1.8150                -2.3925                 2.1973
 Delta2 Fr= 1--      0.2747                -2.0927                 1.1714
 Raman1 Fr= 1--     294.555                195.801                188.081
 ROA1   Fr= 1--    -165.452               -296.653                248.431
 CID1   Fr= 1--      -0.562                 -1.515                  1.321
 Raman2 Fr= 1--      68.639                 83.910                 50.696
 ROA2   Fr= 1--     -45.758                -40.679                 43.365
 CID2   Fr= 1--      -0.667                 -0.485                  0.855
 Raman3 Fr= 1--     137.278                167.819                101.393
 ROA3   Fr= 1--    -165.452               -296.653                248.431
 CID3   Fr= 1--      -1.205                 -1.768                  2.450
 RC180  Fr= 1--      -0.068                  0.714                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00   0.01   0.00     0.00   0.00  -0.00     0.02  -0.04  -0.00
     9   1    -0.02  -0.02  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.03  -0.05  -0.06    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    12   6     0.01  -0.00   0.02    -0.00   0.00   0.00    -0.00  -0.03  -0.09
    13   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.32   0.63   0.66     0.00   0.00   0.00     0.06   0.13   0.13
    15   1     0.08   0.05  -0.15     0.00   0.00  -0.00    -0.29  -0.18   0.55
    16   1    -0.02  -0.04  -0.04    -0.00  -0.00  -0.00     0.16   0.49   0.48
    17   1    -0.14  -0.00  -0.01     0.00   0.00   0.00     0.19  -0.00   0.00
    18   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.02  -0.09    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.00   0.00  -0.02     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.12   0.26   0.64     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00    -0.26  -0.46   0.47     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.4157              3140.3598              3163.1443
 Red. masses --      1.1022                 1.0993                 1.0864
 Frc consts  --      6.3516                 6.3876                 6.4042
 IR Inten    --     14.8150                22.9133                 3.8318
 RamAct Fr= 1--    120.1370               174.2085                58.8219
  Dep-P Fr= 1--      0.5438                 0.4062                 0.6986
  Dep-U Fr= 1--      0.7045                 0.5777                 0.8226
 Alpha2 Fr= 1--      0.4754                 1.2619                 0.0527
 Beta2  Fr= 1--     14.1066                16.7748                 8.0641
 AlphaG Fr= 1--      0.3651                 0.1572                -0.0104
 Gamma2 Fr= 1--     -4.1427                 0.7155                -0.0866
 Delta2 Fr= 1--      3.3479                 0.7724                 2.1052
 Raman1 Fr= 1--     480.548                696.834                235.288
 ROA1   Fr= 1--    -290.562                 93.405                 59.058
 CID1   Fr= 1--      -0.605                  0.134                  0.251
 Raman2 Fr= 1--     169.279                201.298                 96.770
 ROA2   Fr= 1--    -126.207                 10.992                -18.919
 CID2   Fr= 1--      -0.746                  0.055                 -0.196
 Raman3 Fr= 1--     338.558                402.596                193.539
 ROA3   Fr= 1--    -290.562                 93.405                 59.058
 CID3   Fr= 1--      -0.858                  0.232                  0.305
 RC180  Fr= 1--       0.409                  0.155                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.05   0.01
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.01
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
     9   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.45  -0.58  -0.16
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.25   0.61   0.08
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.09  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.02   0.03   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    15   1     0.18   0.12  -0.40    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.02   0.12   0.13    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.86   0.02   0.11    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00    -0.09  -0.03  -0.02     0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1     0.00  -0.00  -0.00     0.01  -0.03  -0.00     0.01  -0.02  -0.00
    29   1     0.00   0.00   0.00     0.93   0.16   0.15    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.02   0.06   0.18    -0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.06   0.12  -0.14    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3172.0586              3178.0321              3180.5109
 Red. masses --      1.0884                 1.0890                 1.0944
 Frc consts  --      6.4527                 6.4802                 6.5228
 IR Inten    --      2.8355                13.9795                 8.3039
 RamAct Fr= 1--     35.1103                56.9891               180.4744
  Dep-P Fr= 1--      0.6330                 0.5445                 0.1608
  Dep-U Fr= 1--      0.7752                 0.7051                 0.2770
 Alpha2 Fr= 1--      0.0745                 0.2246                 2.7145
 Beta2  Fr= 1--      4.5365                 6.6971                 8.3317
 AlphaG Fr= 1--      0.0287                 0.0686                -0.0062
 Gamma2 Fr= 1--     -0.5157                 3.4504                -2.5521
 Delta2 Fr= 1--     -1.0378                 2.8904                -3.7738
 Raman1 Fr= 1--     140.441                227.956                721.897
 ROA1   Fr= 1--     -82.716                423.728               -365.763
 CID1   Fr= 1--      -0.589                  1.859                 -0.507
 Raman2 Fr= 1--      54.438                 80.366                 99.980
 ROA2   Fr= 1--      -4.075                 59.686                -31.060
 CID2   Fr= 1--      -0.075                  0.743                 -0.311
 Raman3 Fr= 1--     108.877                160.732                199.960
 ROA3   Fr= 1--     -82.716                423.728               -365.763
 CID3   Fr= 1--      -0.760                  2.636                 -1.829
 RC180  Fr= 1--       0.550                  0.410                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.02   0.00     0.03  -0.07  -0.01    -0.01   0.02   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
     6   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.03  -0.06  -0.01
     7   6     0.03  -0.07  -0.01     0.01  -0.02  -0.00    -0.00   0.00   0.00
     8   1     0.10  -0.26  -0.03    -0.34   0.84   0.10     0.10  -0.25  -0.03
     9   1    -0.01  -0.01  -0.00     0.12   0.16   0.04     0.38   0.48   0.13
    10   1     0.00  -0.01  -0.00    -0.07   0.17   0.02    -0.28   0.66   0.09
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.00  -0.01  -0.01
    17   1    -0.01  -0.00  -0.00     0.02   0.00   0.00    -0.00  -0.00   0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.01   0.02   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.35   0.84   0.11    -0.09   0.23   0.03     0.02  -0.05  -0.01
    27   1    -0.18  -0.22  -0.06    -0.06  -0.08  -0.02     0.02   0.02   0.01
    28   1    -0.01   0.02   0.00    -0.00   0.00   0.00     0.02  -0.05  -0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.0248              3206.0308              3680.6668
 Red. masses --      1.0937                 1.0893                 1.0651
 Frc consts  --      6.5988                 6.5969                 8.5016
 IR Inten    --      4.9722                 8.5404               203.7447
 RamAct Fr= 1--    190.4984                76.8012               167.6271
  Dep-P Fr= 1--      0.2214                 0.2782                 0.2653
  Dep-U Fr= 1--      0.3625                 0.4354                 0.4193
 Alpha2 Fr= 1--      2.4431                 0.8398                 1.9026
 Beta2  Fr= 1--     11.5083                 5.5727                11.7157
 AlphaG Fr= 1--      0.2755                -0.1116                 3.5915
 Gamma2 Fr= 1--      2.2970                -1.2409                39.4581
 Delta2 Fr= 1--      1.0821                 0.1683                 3.3734
 Raman1 Fr= 1--     761.994                307.205                670.508
 ROA1   Fr= 1--     255.141               -113.739               3895.928
 CID1   Fr= 1--       0.335                 -0.370                  5.810
 Raman2 Fr= 1--     138.100                 66.872                140.588
 ROA2   Fr= 1--      46.471                -31.127                920.008
 CID2   Fr= 1--       0.337                 -0.465                  6.544
 Raman3 Fr= 1--     276.200                133.744                281.177
 ROA3   Fr= 1--     255.141               -113.739               3895.928
 CID3   Fr= 1--       0.924                 -0.850                 13.856
 RC180  Fr= 1--      -0.275                 -0.129                 -0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.01  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01   0.02   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.02   0.05   0.01     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.06  -0.02   0.01
    20   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.95   0.25  -0.18
    21   6    -0.05  -0.06  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00     0.03  -0.08  -0.01     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.12   0.28   0.03     0.01  -0.02  -0.00    -0.00   0.00   0.00
    27   1     0.58   0.72   0.20     0.01   0.01   0.00     0.00   0.00   0.00
    28   1     0.00  -0.01  -0.00    -0.37   0.91   0.12     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01   0.01  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1309.984398649.942099137.78575
           X            0.99985  -0.01540   0.00853
           Y            0.01536   0.99987   0.00518
           Z           -0.00860  -0.00505   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06612     0.01001     0.00948
 Rotational constants (GHZ):           1.37768     0.20864     0.19750
 Zero-point vibrational energy     658875.7 (Joules/Mol)
                                  157.47507 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     32.48    57.59    62.47   134.72   186.70
          (Kelvin)            200.96   267.20   288.93   318.38   350.30
                              373.84   407.74   470.71   512.51   561.64
                              594.33   622.74   700.35   709.02   758.95
                              772.49   824.00   861.01   899.87   933.66
                              988.48  1028.11  1080.36  1109.38  1130.73
                             1173.24  1192.11  1205.02  1246.82  1271.32
                             1327.29  1365.89  1387.93  1397.39  1411.77
                             1458.65  1527.51  1552.19  1570.09  1654.46
                             1689.27  1700.00  1713.51  1721.26  1724.41
                             1758.50  1801.16  1866.99  1873.33  1877.69
                             1910.74  1931.44  1993.76  2024.87  2032.58
                             2053.41  2092.13  2124.80  2148.77  2155.23
                             2166.89  2173.06  2194.70  2222.11  2326.47
                             2378.73  2406.40  2638.74  4332.73  4382.48
                             4409.13  4414.27  4474.20  4499.65  4518.28
                             4551.06  4563.88  4572.48  4576.05  4604.12
                             4612.76  5295.66
 
 Zero-point correction=                           0.250952 (Hartree/Particle)
 Thermal correction to Energy=                    0.266094
 Thermal correction to Enthalpy=                  0.267038
 Thermal correction to Gibbs Free Energy=         0.207305
 Sum of electronic and zero-point Energies=           -767.721412
 Sum of electronic and thermal Energies=              -767.706270
 Sum of electronic and thermal Enthalpies=            -767.705326
 Sum of electronic and thermal Free Energies=         -767.765059
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.976             58.474            125.719
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.004
 Vibrational            165.199             52.512             50.513
 Vibration     1          0.593              1.985              6.394
 Vibration     2          0.594              1.981              5.258
 Vibration     3          0.595              1.980              5.097
 Vibration     4          0.603              1.954              3.583
 Vibration     5          0.612              1.924              2.950
 Vibration     6          0.615              1.914              2.808
 Vibration     7          0.632              1.859              2.270
 Vibration     8          0.638              1.839              2.126
 Vibration     9          0.648              1.809              1.949
 Vibration    10          0.659              1.774              1.777
 Vibration    11          0.668              1.746              1.663
 Vibration    12          0.682              1.704              1.513
 Vibration    13          0.711              1.621              1.274
 Vibration    14          0.732              1.562              1.139
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.777              1.442              0.916
 Vibration    17          0.794              1.399              0.849
 Vibration    18          0.843              1.279              0.692
 Vibration    19          0.848              1.266              0.676
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.892              1.168              0.572
 Vibration    22          0.929              1.090              0.499
 Vibration    23          0.956              1.035              0.452
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.442994D-95        -95.353602       -219.559783
 Total V=0       0.119242D+21         20.076429         46.227685
 Vib (Bot)       0.886501-110       -110.052321       -253.404833
 Vib (Bot)    1  0.917503D+01          0.962608          2.216486
 Vib (Bot)    2  0.516911D+01          0.713416          1.642701
 Vib (Bot)    3  0.476370D+01          0.677944          1.561024
 Vib (Bot)    4  0.219433D+01          0.341303          0.785879
 Vib (Bot)    5  0.157113D+01          0.196213          0.451797
 Vib (Bot)    6  0.145595D+01          0.163146          0.375657
 Vib (Bot)    7  0.107934D+01          0.033160          0.076354
 Vib (Bot)    8  0.992602D+00         -0.003225         -0.007426
 Vib (Bot)    9  0.893387D+00         -0.048960         -0.112735
 Vib (Bot)   10  0.804081D+00         -0.094700         -0.218056
 Vib (Bot)   11  0.747583D+00         -0.126340         -0.290910
 Vib (Bot)   12  0.677198D+00         -0.169284         -0.389792
 Vib (Bot)   13  0.572107D+00         -0.242523         -0.558429
 Vib (Bot)   14  0.515841D+00         -0.287484         -0.661957
 Vib (Bot)   15  0.459794D+00         -0.337436         -0.776976
 Vib (Bot)   16  0.427307D+00         -0.369260         -0.850253
 Vib (Bot)   17  0.401675D+00         -0.396125         -0.912111
 Vib (Bot)   18  0.341585D+00         -0.466501         -1.074158
 Vib (Bot)   19  0.335639D+00         -0.474128         -1.091719
 Vib (Bot)   20  0.303890D+00         -0.517284         -1.191089
 Vib (Bot)   21  0.295952D+00         -0.528778         -1.217557
 Vib (Bot)   22  0.268013D+00         -0.571844         -1.316720
 Vib (Bot)   23  0.249920D+00         -0.602199         -1.386615
 Vib (V=0)       0.238622D+06          5.377710         12.382635
 Vib (V=0)    1  0.968864D+01          0.986263          2.270955
 Vib (V=0)    2  0.569324D+01          0.755360          1.739280
 Vib (V=0)    3  0.528987D+01          0.723445          1.665793
 Vib (V=0)    4  0.275058D+01          0.439424          1.011811
 Vib (V=0)    5  0.214877D+01          0.332191          0.764898
 Vib (V=0)    6  0.203941D+01          0.309505          0.712661
 Vib (V=0)    7  0.168953D+01          0.227766          0.524451
 Vib (V=0)    8  0.161142D+01          0.207209          0.477117
 Vib (V=0)    9  0.152379D+01          0.182924          0.421199
 Vib (V=0)   10  0.144686D+01          0.160427          0.369396
 Vib (V=0)   11  0.139938D+01          0.145935          0.336028
 Vib (V=0)   12  0.134178D+01          0.127682          0.293999
 Vib (V=0)   13  0.125981D+01          0.100304          0.230958
 Vib (V=0)   14  0.121840D+01          0.085788          0.197535
 Vib (V=0)   15  0.117927D+01          0.071614          0.164898
 Vib (V=0)   16  0.115772D+01          0.063602          0.146450
 Vib (V=0)   17  0.114136D+01          0.057423          0.132221
 Vib (V=0)   18  0.110554D+01          0.043575          0.100335
 Vib (V=0)   19  0.110221D+01          0.042263          0.097315
 Vib (V=0)   20  0.108511D+01          0.035472          0.081678
 Vib (V=0)   21  0.108102D+01          0.033835          0.077908
 Vib (V=0)   22  0.106730D+01          0.028287          0.065134
 Vib (V=0)   23  0.105898D+01          0.024888          0.057307
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.364255D+07          6.561406         15.108195
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          221111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     8          008776421664 1                              3751421099752108420095299987597618764286321875184297329831952864208439442
     1          601823070846 1                              4337450683747376285282296124019241159347895611579583773733067303116004303
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                       X                              XXX  X X    X    X  XX         X                  X                      
     X                                                      X X         X    X  XX                                                   
     X                                                      X X              X  XX                                                   
     X                                                      X X              X   X                                                   
     X                                                      X                X   X                                                   
     X                                                      X                X                                                       
     X                                                      X                X                                                       
                                                            X                X                                                       
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002867   -0.000006315   -0.000001209
      2        6          -0.000006112   -0.000001457   -0.000000489
      3        6           0.000005874    0.000006898    0.000001326
      4        6          -0.000000732    0.000001262   -0.000005608
      5        6          -0.000006101    0.000002031    0.000001535
      6        6           0.000003535    0.000004410   -0.000000001
      7        6           0.000006092    0.000001068    0.000000378
      8        1          -0.000003108   -0.000002557    0.000002096
      9        1           0.000001599   -0.000000717   -0.000001173
     10        1          -0.000001642   -0.000000940    0.000000655
     11        6           0.000008422   -0.000026061    0.000009020
     12        6          -0.000004952    0.000002803    0.000007718
     13        6          -0.000041618    0.000012249   -0.000038722
     14        1           0.000003857    0.000003827   -0.000005627
     15        1           0.000000182    0.000001531   -0.000002109
     16        1           0.000002765   -0.000000756    0.000000678
     17        1           0.000000837   -0.000002417   -0.000001283
     18        8           0.000018754    0.000002386    0.000002603
     19        8           0.000012064   -0.000000743    0.000031929
     20        1           0.000006529    0.000002776   -0.000004250
     21        6          -0.000005283    0.000004156    0.000000104
     22        6          -0.000000507   -0.000003531   -0.000000955
     23        6          -0.000000324    0.000000544    0.000000174
     24        8          -0.000004159    0.000006236    0.000002577
     25        6           0.000012160   -0.000012231   -0.000001075
     26        1          -0.000001735   -0.000000332   -0.000000029
     27        1          -0.000000255   -0.000001144   -0.000000213
     28        1          -0.000003633    0.000002337    0.000000139
     29        1           0.000000205    0.000000261    0.000000440
     30        1          -0.000000161    0.000001824    0.000001717
     31        1           0.000000315    0.000002602   -0.000000345
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041618 RMS     0.000008548
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.298384D+03  0.839565D+01  0.154082D+02
      2   0.839565D+01  0.175451D+03  0.854767D+01
      3   0.154082D+02  0.854767D+01  0.121091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.152677D+01 -0.301141D+02 -0.118117D+01
      2   0.647450D+02  0.199648D+02 -0.131019D+02
      3   0.422420D+02 -0.591166D+02 -0.170593D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.275712D+03 -0.550967D+02  0.682123D+02
      2  -0.117517D+03  0.562691D+02 -0.170068D+02
      3  -0.158195D+03 -0.117238D+01 -0.512055D+02
      4  -0.493273D+02  0.126666D+03  0.499927D+02
      5  -0.156012D+01  0.530147D+02 -0.342763D+02
      6   0.197306D+02 -0.538160D+02 -0.208812D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.347079D+02 -0.356105D+01 -0.310575D+01  0.423219D+02  0.934534D+01
      2  -0.356105D+01 -0.963562D+00 -0.953002D+00  0.934534D+01  0.902284D+01
      3  -0.310575D+01 -0.953002D+00 -0.157618D+00  0.604946D+01  0.241556D+01
                 6             7             8             9            10 
      1   0.604946D+01  0.418088D+01  0.125611D+01 -0.353618D+00  0.386433D+02
      2   0.241556D+01  0.125611D+01  0.106072D+01  0.157848D+01  0.455464D+01
      3   0.429990D+00 -0.353618D+00  0.157848D+01  0.415769D+00  0.369114D+01
                11            12            13            14            15 
      1   0.455464D+01  0.369114D+01 -0.424404D+02 -0.866302D+01 -0.610853D+01
      2   0.429128D+01  0.105620D+01 -0.866302D+01 -0.763697D+01 -0.251356D+01
      3   0.105620D+01 -0.190338D-01 -0.610853D+01 -0.251356D+01 -0.489442D+00
                16            17            18            19            20 
      1  -0.281316D+01 -0.979874D+00  0.675181D+00  0.378563D+02  0.553924D+01
      2  -0.979874D+00 -0.335669D+00 -0.142824D+01  0.553924D+01  0.421816D+01
      3   0.675181D+00 -0.142824D+01 -0.387492D+00  0.324693D+01  0.950154D+00
                21            22            23            24            25 
      1   0.324693D+01  0.209253D+02  0.213316D+01  0.633679D+00  0.899179D+01
      2   0.950154D+00  0.213316D+01  0.466263D+01  0.271899D+00  0.169386D+00
      3   0.391754D+00  0.633679D+00  0.271899D+00  0.211777D+01 -0.853755D+00
                26            27            28            29            30 
      1   0.169386D+00 -0.853755D+00 -0.457449D+02 -0.481956D+01 -0.104353D+01
      2  -0.151829D-01  0.343820D+01 -0.481956D+01 -0.294104D+01 -0.347642D+00
      3   0.343820D+01  0.107697D+01 -0.104353D+01 -0.347642D+00 -0.202442D+01
                31            32            33            34            35 
      1  -0.111499D+02 -0.359805D+00  0.613991D+00 -0.592395D+01  0.488522D+00
      2  -0.359805D+00 -0.878489D+01 -0.223241D+01  0.488522D+00 -0.224620D+01
      3   0.613991D+00 -0.223241D+01 -0.564386D+00 -0.567024D+01 -0.126611D+01
                36            37            38            39            40 
      1  -0.567024D+01 -0.755734D+01  0.493965D-01 -0.456263D+00 -0.762797D+01
      2  -0.126611D+01  0.493965D-01 -0.961271D+01 -0.157792D+01 -0.224571D+01
      3  -0.180591D+01 -0.456263D+00 -0.157792D+01 -0.249790D+01  0.457891D+00
                41            42            43            44            45 
      1  -0.224571D+01  0.457891D+00 -0.166281D+01  0.103223D+01 -0.423831D+01
      2   0.310783D+01  0.135498D+01  0.103223D+01  0.136169D+00 -0.249370D+01
      3   0.135498D+01 -0.623558D+00 -0.423831D+01 -0.249370D+01 -0.299860D+01
                46            47            48            49            50 
      1   0.121471D+02  0.173735D+01  0.188991D+01 -0.202712D+00 -0.103860D+01
      2   0.173735D+01  0.669882D+01  0.233071D+01 -0.103860D+01 -0.659033D+00
      3   0.188991D+01  0.233071D+01  0.286104D+01 -0.143070D+00  0.891741D+00
                51            52            53            54            55 
      1  -0.143070D+00  0.127768D+01  0.356156D+00  0.169572D+01 -0.137710D+02
      2   0.891741D+00  0.356156D+00  0.221265D+01 -0.346606D+01 -0.389950D+01
      3  -0.123906D+01  0.169572D+01 -0.346606D+01 -0.129760D+01 -0.205941D+01
                56            57            58            59            60 
      1  -0.389950D+01 -0.205941D+01 -0.179710D+01  0.605441D+00 -0.218162D+00
      2  -0.997623D+01 -0.199415D+01  0.605441D+00 -0.303181D-02 -0.865052D+00
      3  -0.199415D+01 -0.277417D+01 -0.218162D+00 -0.865052D+00  0.139955D+01
                61            62            63            64            65 
      1  -0.179290D+01 -0.571064D+00 -0.178198D+01 -0.256819D+01  0.240258D+01
      2  -0.571064D+00 -0.270313D+01  0.344797D+01  0.240258D+01 -0.135105D+01
      3  -0.178198D+01  0.344797D+01  0.757096D+00 -0.339143D+00  0.214820D+00
                66            67            68            69            70 
      1  -0.339143D+00  0.319567D+01 -0.306109D+01 -0.653845D-01 -0.473584D+00
      2   0.214820D+00 -0.306109D+01  0.598350D+01  0.273432D+00 -0.646729D-01
      3  -0.203816D+00 -0.653845D-01  0.273432D+00  0.654498D+00 -0.228381D-01
                71            72            73            74            75 
      1  -0.646729D-01 -0.228381D-01 -0.497249D+01 -0.299465D+01 -0.114749D+01
      2   0.789150D+00  0.144914D+00 -0.299465D+01 -0.303173D+01 -0.905973D+00
      3   0.144914D+00  0.836910D-02 -0.114749D+01 -0.905973D+00 -0.691788D+00
                76            77            78            79            80 
      1  -0.346789D+01 -0.413566D+01 -0.123799D+01 -0.149348D+01 -0.122558D+01
      2  -0.413566D+01 -0.602348D+01 -0.155823D+01 -0.122558D+01 -0.135704D+01
      3  -0.123799D+01 -0.155823D+01 -0.113431D+01  0.844472D-01 -0.611006D+00
                81            82            83            84            85 
      1   0.844472D-01  0.141989D+01 -0.177900D+01 -0.202763D+00 -0.927170D+00
      2  -0.611006D+00 -0.177900D+01  0.278247D+01  0.317327D+00  0.208389D+01
      3  -0.265933D+00 -0.202763D+00  0.317327D+00  0.261206D+00  0.433150D+00
                86            87            88            89            90 
      1   0.208389D+01  0.433150D+00 -0.589492D-01  0.151517D+00 -0.596826D-01
      2  -0.936423D+01 -0.144821D+01  0.151517D+00 -0.143989D+01 -0.355333D+00
      3  -0.144821D+01 -0.103394D+01 -0.596826D-01 -0.355333D+00 -0.218071D+00
                91            92            93            94            95 
      1   0.200437D+02  0.321683D+01 -0.170880D+01  0.264233D+01  0.284027D+01
      2   0.321683D+01  0.173633D+01 -0.787809D+00  0.284027D+01 -0.135731D+01
      3  -0.170880D+01 -0.787809D+00  0.285202D+01 -0.322940D+00  0.304971D+01
                96            97            98            99           100 
      1  -0.322940D+00 -0.724713D+01 -0.139053D+01  0.568964D+01  0.738276D+01
      2   0.304971D+01 -0.139053D+01  0.179335D+01  0.224461D+01 -0.505830D+00
      3   0.112869D+01  0.568964D+01  0.224461D+01 -0.429483D+00  0.179745D+01
               101           102           103           104           105 
      1  -0.505830D+00  0.179745D+01  0.277907D+01 -0.254718D+01  0.110229D+01
      2  -0.228605D+01  0.133344D+01 -0.254718D+01  0.160042D+01 -0.302381D+01
      3   0.133344D+01 -0.327189D+01  0.110229D+01 -0.302381D+01 -0.176379D+01
               106           107           108           109           110 
      1   0.202259D+01  0.119103D+01 -0.210506D+01  0.343898D+01  0.187693D+01
      2   0.119103D+01 -0.204964D+01 -0.301821D+01  0.187693D+01  0.647115D+00
      3  -0.210506D+01 -0.301821D+01  0.279044D+01 -0.104350D-02 -0.323554D+00
               111           112           113           114           115 
      1  -0.104350D-02  0.136763D+01 -0.589298D+00  0.308100D+00  0.122875D+02
      2  -0.323554D+00 -0.589298D+00  0.118777D+00 -0.155613D+00  0.133551D+01
      3  -0.127483D+01  0.308100D+00 -0.155613D+00 -0.709917D+00 -0.521596D+01
               116           117           118           119           120 
      1   0.133551D+01 -0.521596D+01 -0.281862D+01 -0.156891D+01 -0.143073D+01
      2   0.786291D+00 -0.694584D+00 -0.156891D+01 -0.986820D+00 -0.406807D+00
      3  -0.694584D+00  0.256979D+00 -0.143073D+01 -0.406807D+00 -0.151283D+01
               121           122           123           124           125 
      1  -0.532817D+01 -0.185089D+01 -0.104705D+01 -0.234060D+01 -0.510271D+00
      2  -0.185089D+01 -0.248866D+01 -0.200360D+01 -0.510271D+00 -0.200139D+01
      3  -0.104705D+01 -0.200360D+01 -0.196062D+01 -0.235042D+01 -0.177440D+01
               126           127           128           129           130 
      1  -0.235042D+01  0.766654D+00  0.236706D+00 -0.109182D+01 -0.239428D+00
      2  -0.177440D+01  0.236706D+00  0.116671D+01 -0.108864D+01  0.233541D+00
      3  -0.363287D+01 -0.109182D+01 -0.108864D+01  0.243524D+01 -0.157662D+00
               131           132           133           134           135 
      1   0.233541D+00 -0.157662D+00 -0.178108D+01  0.259648D+00  0.259910D+00
      2   0.140199D+01 -0.118781D+01  0.259648D+00 -0.204872D+01  0.276733D+01
      3  -0.118781D+01  0.175488D+01  0.259910D+00  0.276733D+01 -0.685497D+01
               136           137           138           139           140 
      1   0.286497D+00  0.276157D+00  0.547833D+00  0.132161D+01 -0.566972D+00
      2   0.276157D+00  0.673752D+00 -0.106620D+00 -0.566972D+00  0.407981D+01
      3   0.547833D+00 -0.106620D+00  0.635187D+00 -0.826060D-01  0.155955D+01
               141           142           143           144           145 
      1  -0.826060D-01  0.167275D+01 -0.905222D+00  0.191132D+00 -0.127644D+02
      2   0.155955D+01 -0.905222D+00  0.292926D+01  0.163070D+01  0.250796D+01
      3   0.178341D+01  0.191132D+00  0.163070D+01  0.196412D+01 -0.228652D+01
               146           147           148           149           150 
      1   0.250796D+01 -0.228652D+01  0.776672D+00 -0.957906D+00 -0.391097D-01
      2  -0.154543D+01  0.600807D+00 -0.957906D+00  0.144070D+00  0.524067D-01
      3   0.600807D+00 -0.151024D+01 -0.391097D-01  0.524067D-01  0.447189D-01
               151           152           153           154           155 
      1  -0.148255D+01  0.147218D+00 -0.128211D+01 -0.183248D+02 -0.369067D+01
      2   0.147218D+00  0.436611D-01  0.509601D+00 -0.369067D+01 -0.252140D+01
      3  -0.128211D+01  0.509601D+00 -0.937487D+00  0.119918D+01  0.753298D+00
               156           157           158           159           160 
      1   0.119918D+01 -0.458044D+01 -0.459692D+01  0.229421D+00  0.185712D+01
      2   0.753298D+00 -0.459692D+01 -0.290685D+01  0.473074D+00  0.556659D+00
      3  -0.267107D+01  0.229421D+00  0.473074D+00 -0.520393D+00 -0.274274D+01
               161           162           163           164           165 
      1   0.556659D+00 -0.274274D+01 -0.123527D+02 -0.158755D+01  0.453415D+01
      2  -0.277506D+00 -0.870631D+00 -0.158755D+01  0.312300D+00  0.639447D-02
      3  -0.870631D+00  0.277660D+00  0.453415D+01  0.639447D-02 -0.857885D+00
               166           167           168           169           170 
      1  -0.359809D+01  0.327982D-01  0.746456D+00  0.332569D+00 -0.492313D+00
      2   0.327982D-01  0.232640D+00  0.127891D+01 -0.492313D+00  0.544977D+00
      3   0.746456D+00  0.127891D+01 -0.217878D+00 -0.101649D+00 -0.341407D+00
               171           172           173           174           175 
      1  -0.101649D+00  0.105875D+02  0.929633D+00 -0.249556D+01  0.294233D+01
      2  -0.341407D+00  0.929633D+00  0.142292D+00 -0.176507D+00  0.214533D-01
      3   0.663062D+01 -0.249556D+01 -0.176507D+00  0.283993D+01 -0.888682D+00
               176           177           178           179           180 
      1   0.214533D-01 -0.888682D+00 -0.478858D+01 -0.383142D+00  0.195453D+01
      2   0.114610D+00  0.578287D+00 -0.383142D+00  0.104115D+01  0.326384D+00
      3   0.578287D+00  0.908166D+00  0.195453D+01  0.326384D+00  0.421844D+00
               181           182           183           184           185 
      1   0.121894D+02  0.123121D+01  0.784710D+00  0.691427D+01  0.112510D+01
      2   0.123121D+01  0.111519D+02  0.852971D+00  0.112510D+01 -0.470803D+01
      3   0.784710D+00  0.852971D+00  0.249063D+01 -0.128448D+00 -0.126765D+01
               186           187           188           189           190 
      1  -0.128448D+00  0.144956D+01 -0.938777D+00  0.484597D+01  0.342303D+02
      2  -0.126765D+01 -0.938777D+00 -0.659433D+00  0.303431D+01  0.252461D+01
      3   0.106256D+01  0.484597D+01  0.303431D+01  0.272466D+01  0.264895D+01
               191           192           193           194           195 
      1   0.252461D+01  0.264895D+01  0.163243D+02  0.190815D+00  0.312755D+00
      2   0.592293D+01  0.547712D+00  0.190815D+00  0.131557D+02  0.152432D+01
      3   0.547712D+00  0.411818D+01  0.312755D+00  0.152432D+01  0.616868D+00
               196           197           198           199           200 
      1   0.533377D+01 -0.963075D+00  0.693333D+01 -0.364852D+02 -0.507192D+01
      2  -0.963075D+00  0.271966D+01  0.116102D+01 -0.507192D+01 -0.750141D+01
      3   0.693333D+01  0.116102D+01  0.229841D+01 -0.408909D+01 -0.989582D+00
               201           202           203           204           205 
      1  -0.408909D+01 -0.196868D+02 -0.331383D+00 -0.178696D+01 -0.801554D+01
      2  -0.989582D+00 -0.331383D+00 -0.595579D+01  0.179765D+00 -0.286643D+00
      3  -0.357540D+00 -0.178696D+01  0.179765D+00 -0.270551D+01 -0.481311D+00
               206           207           208           209           210 
      1  -0.286643D+00 -0.481311D+00 -0.597595D+01  0.102444D+01 -0.551487D+00
      2  -0.672085D+00 -0.366360D+01  0.102444D+01 -0.227875D+01 -0.327345D+00
      3  -0.366360D+01 -0.180263D+01 -0.551487D+00 -0.327345D+00 -0.732677D+00
               211           212           213           214           215 
      1   0.139046D+01  0.159320D+01  0.611520D+00 -0.432407D+00  0.297470D+00
      2   0.159320D+01  0.193787D+01  0.650358D+00  0.297470D+00 -0.686100D-01
      3   0.611520D+00  0.650358D+00 -0.839574D+00  0.335567D+00  0.434209D+00
               216           217           218           219           220 
      1   0.335567D+00 -0.164964D+01 -0.207380D+01 -0.693411D+00 -0.372691D+01
      2   0.434209D+00 -0.207380D+01  0.307888D+01 -0.502932D+00  0.597006D-01
      3  -0.127490D-01 -0.693411D+00 -0.502932D+00  0.151035D+01 -0.101926D+01
               221           222           223           224           225 
      1   0.597006D-01 -0.101926D+01 -0.639029D+00 -0.572931D+00 -0.136218D+01
      2  -0.644387D+00 -0.182872D+01 -0.572931D+00 -0.118865D+01  0.360383D+01
      3  -0.182872D+01  0.518203D+01 -0.136218D+01  0.360383D+01  0.240002D+01
               226           227           228           229           230 
      1  -0.106413D+01  0.150341D+01  0.122432D+00  0.509974D+00 -0.150974D+01
      2   0.150341D+01 -0.288742D+01 -0.268069D+00 -0.150974D+01  0.940496D+01
      3   0.122432D+00 -0.268069D+00 -0.244530D+00 -0.320569D+00  0.119891D+01
               231           232           233           234           235 
      1  -0.320569D+00 -0.750348D-01 -0.164667D+00  0.190407D+00  0.577500D+01
      2   0.119891D+01 -0.164667D+00  0.130990D+01  0.334443D+00  0.399876D+01
      3   0.955364D+00  0.190407D+00  0.334443D+00  0.231785D+00  0.132884D+01
               236           237           238           239           240 
      1   0.399876D+01  0.132884D+01  0.458806D+01  0.494653D+01  0.135621D+01
      2   0.375183D+01  0.981728D+00  0.494653D+01  0.648610D+01  0.152419D+01
      3   0.981728D+00  0.846507D+00  0.135621D+01  0.152419D+01  0.115748D+01
               241           242           243           244           245 
      1   0.164575D+01  0.142715D+01 -0.191800D-01  0.146507D+01 -0.221769D+01
      2   0.142715D+01  0.155942D+01  0.550986D+00 -0.221769D+01  0.140470D+01
      3  -0.191800D-01  0.550986D+00  0.261505D+00 -0.245661D+00 -0.282315D-01
               246           247           248           249           250 
      1  -0.245661D+00 -0.352539D+01  0.319044D+01  0.270193D+00 -0.491993D+00
      2  -0.282315D-01  0.319044D+01 -0.591543D+01 -0.668200D+00  0.292375D+00
      3   0.809676D-01  0.270193D+00 -0.668200D+00 -0.614800D+00  0.365036D-01
               251           252           253           254           255 
      1   0.292375D+00  0.365036D-01  0.155386D+02 -0.477813D+00  0.142194D+01
      2  -0.966271D+00  0.447706D-02 -0.477813D+00  0.934440D+00 -0.459922D-01
      3   0.447706D-02 -0.543381D-01  0.142194D+01 -0.459922D-01  0.128357D+01
               256           257           258           259           260 
      1   0.206108D+01  0.106514D+01  0.174327D+00  0.195405D+01 -0.748155D-01
      2   0.106514D+01  0.386943D+00  0.259858D+00 -0.748155D-01  0.309392D+00
      3   0.174327D+00  0.259858D+00  0.432924D-01  0.163144D+01 -0.338098D+00
               261           262           263           264           265 
      1   0.163144D+01  0.131564D+00  0.229280D+00 -0.779007D+00 -0.536918D+00
      2  -0.338098D+00  0.229280D+00 -0.166336D+00  0.227103D+00  0.127060D+01
      3   0.374164D+00 -0.779007D+00  0.227103D+00 -0.544578D+00  0.106303D+01
               266           267           268           269           270 
      1   0.127060D+01  0.106303D+01 -0.411494D+01  0.191810D+01  0.266882D+01
      2  -0.161369D+01 -0.134823D+01  0.191810D+01 -0.179786D+01 -0.220533D+01
      3  -0.134823D+01 -0.208576D+01  0.266882D+01 -0.220533D+01 -0.573184D+01
               271           272           273           274           275 
      1  -0.114552D+01  0.408822D+00  0.514031D+00 -0.122534D+01  0.171674D+01
      2   0.408822D+00 -0.863949D+00  0.658110D+00  0.171674D+01 -0.377894D+01
      3   0.514031D+00  0.658110D+00 -0.125976D+01 -0.796033D+00  0.256417D+01
               276           277           278           279 
      1  -0.796033D+00  0.262169D+01 -0.135552D+01  0.144842D+01
      2   0.256417D+01 -0.135552D+01  0.259153D+01 -0.268475D+01
      3  -0.273633D+01  0.144842D+01 -0.268475D+01  0.353954D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.392575D+01 -0.342013D+01  0.737555D+00 -0.755971D+01 -0.663353D+01
      2  -0.799085D+01 -0.389872D+01 -0.158713D+01  0.113983D+02  0.281164D+00
      3  -0.287044D+02  0.224500D+02  0.688114D+00  0.376273D+02  0.193610D+02
                 6             7             8             9            10 
      1  -0.177910D+01  0.351574D+01  0.613579D+01  0.125119D+01 -0.118303D+01
      2  -0.754689D+00 -0.175521D+02 -0.275615D+01 -0.273580D+01  0.203417D+02
      3   0.608147D+01  0.183626D+01  0.720603D+01 -0.241571D+00 -0.214867D+01
                11            12            13            14            15 
      1  -0.592747D+01 -0.815254D+00 -0.457758D+01 -0.215317D+01  0.483794D+00
      2  -0.101708D+01 -0.450251D+01 -0.179582D+02 -0.564096D+01 -0.254117D+01
      3   0.281834D+02  0.301847D+01  0.441507D+02  0.247926D+02  0.867787D+01
                16            17            18            19            20 
      1   0.358446D+01  0.704293D+01  0.229761D+01 -0.535549D+01  0.711616D+00
      2  -0.218461D+02 -0.356661D+01 -0.313080D+01  0.147643D+02  0.642875D+01
      3   0.491263D+01  0.867437D+01  0.274149D+01  0.310222D+02 -0.183874D+02
                21            22            23            24            25 
      1  -0.717753D+00 -0.734714D+00 -0.333259D+01 -0.287807D+01  0.700629D+01
      2   0.106872D+01  0.134353D+02  0.221774D+01 -0.103592D+01 -0.149098D+02
      3   0.587114D+00  0.994535D+01  0.212162D+01  0.423614D+00 -0.339124D+00
                26            27            28            29            30 
      1   0.256380D+01 -0.220941D+01 -0.829660D-01 -0.118317D+01 -0.300901D+00
      2  -0.660377D+01 -0.288194D+01 -0.258331D+02 -0.433613D+01  0.642039D+00
      3  -0.397836D+01  0.203601D+01 -0.567903D+01  0.621043D+01  0.964584D+00
                31            32            33            34            35 
      1  -0.602511D+01  0.294535D+01  0.316812D+01 -0.210828D+01  0.140166D+02
      2  -0.626777D+01  0.201585D+01  0.466694D+00 -0.148788D+02 -0.219158D+00
      3   0.215053D+02 -0.397306D+01 -0.419988D+01  0.151320D+01  0.229952D+00
                36            37            38            39            40 
      1   0.359136D+01 -0.124150D+01  0.539080D+01 -0.420118D+01  0.422268D+01
      2  -0.721076D+00 -0.187731D+01  0.305816D+00  0.195067D+01 -0.424720D+01
      3  -0.195718D+01  0.200198D+02 -0.412022D+01 -0.119501D+01  0.221144D+01
                41            42            43            44            45 
      1  -0.366155D+01 -0.224917D+01 -0.148375D+02  0.455910D+01 -0.110558D+01
      2  -0.456211D+01  0.100562D+01 -0.109916D+02  0.668121D+01 -0.501053D+00
      3   0.822231D+01  0.359296D+01 -0.283714D+00  0.237464D+01  0.540269D+01
                46            47            48            49            50 
      1   0.235418D+01 -0.767287D+00  0.465536D+01  0.790354D+00  0.414991D+01
      2   0.826983D+01  0.290939D+01  0.206856D+01  0.296000D+01  0.285284D+01
      3  -0.328453D+02 -0.239228D+02 -0.495174D+01 -0.792882D+01 -0.213273D+02
                51            52            53            54            55 
      1  -0.298120D+01  0.102923D+02 -0.227071D+01  0.270988D+01  0.226985D+01
      2   0.136093D+01 -0.156566D+02  0.303961D+00  0.240248D+00  0.449758D+01
      3  -0.381565D+01 -0.735233D+01 -0.590290D+01 -0.726186D+01 -0.251237D+02
                56            57            58            59            60 
      1   0.366786D+01  0.711524D+01 -0.129938D+01  0.373605D+01 -0.284363D+01
      2   0.400273D+00 -0.532406D+01  0.362097D+01  0.248637D+01  0.378781D+01
      3  -0.107279D+02 -0.273251D+01 -0.275671D+00 -0.214798D+02 -0.921603D+00
                61            62            63            64            65 
      1   0.953195D+01 -0.172405D+01  0.144088D+01  0.680705D+00 -0.863061D+00
      2  -0.211566D+02  0.464206D+01  0.248148D+00  0.116465D+01  0.661893D-01
      3  -0.433587D+01 -0.236493D+01 -0.133062D+02 -0.450303D+01  0.204313D+01
                66            67            68            69            70 
      1   0.116472D+01  0.230146D+00 -0.147314D+01 -0.345914D+01  0.544498D+00
      2   0.319583D+00  0.486743D+00 -0.101182D+01 -0.154192D+01 -0.213316D+01
      3  -0.929439D+00  0.596714D+01  0.367189D+01  0.864368D+00 -0.682723D+00
                71            72            73            74            75 
      1   0.165861D+01  0.175618D+00  0.311996D+00  0.121280D+01 -0.195678D+01
      2   0.776781D+00 -0.834541D-02 -0.341860D+01 -0.125141D+01  0.115228D+01
      3   0.109552D+01 -0.923696D+00  0.724322D+01  0.450593D-01  0.721253D+00
                76            77            78            79            80 
      1   0.124837D+01  0.257022D+01 -0.277666D+01  0.298797D+01  0.206290D+01
      2  -0.165132D+01 -0.125871D+01  0.196494D+01 -0.312405D+01 -0.387770D+00
      3   0.206101D+01 -0.235648D+01 -0.806556D-02  0.155179D+01 -0.328904D+00
                81            82            83            84            85 
      1   0.130371D+00  0.131812D+01 -0.175857D+01  0.133627D+01 -0.575821D+00
      2   0.722643D+00  0.148303D+01 -0.123004D+01  0.776334D+00 -0.112892D+01
      3  -0.936198D+00 -0.582352D+01  0.258891D+01  0.152852D+00  0.554672D+01
                86            87            88            89            90 
      1   0.380215D+01 -0.380689D+01 -0.132708D+01  0.270053D+01 -0.438208D+00
      2   0.183343D+01 -0.932392D+00 -0.664646D+00 -0.575089D+00 -0.455284D+00
      3  -0.344833D+01 -0.101066D+01 -0.272374D+00 -0.836880D+00  0.871298D+00
                91            92            93            94            95 
      1  -0.853845D+00 -0.158712D+01  0.426069D+00  0.134343D+01  0.481137D+00
      2   0.197476D+02  0.391388D+01 -0.939722D+01  0.313683D+01 -0.732561D+01
      3   0.522618D+01  0.320811D+00 -0.121778D+01  0.180184D+02 -0.718496D+01
                96            97            98            99           100 
      1  -0.288213D+01  0.144195D+00  0.369471D+01 -0.374372D+01 -0.204386D+01
      2  -0.377061D+01 -0.367807D+02 -0.846759D+01  0.444310D+01  0.203290D+01
      3   0.119927D+02 -0.282133D+01  0.107420D+02  0.813218D+01  0.150264D+02
               101           102           103           104           105 
      1   0.300737D+01  0.245767D+01  0.105395D+01  0.300653D+01  0.626532D+01
      2  -0.493234D+01  0.160692D+02 -0.167943D+01  0.792004D+01  0.838519D+01
      3  -0.165071D+02  0.870517D+01 -0.101306D+02  0.496484D+00 -0.126177D+02
               106           107           108           109           110 
      1  -0.748318D+00  0.101992D+02 -0.153237D+00  0.478264D+01  0.173895D+01
      2   0.737910D+01  0.125830D+02 -0.125000D+02 -0.197436D+02 -0.429002D+01
      3   0.660280D+01 -0.821117D+01 -0.164505D+02 -0.201387D+01  0.137630D+02
               111           112           113           114           115 
      1   0.524366D+01  0.112690D+02  0.546903D+01 -0.156665D+02  0.361602D+01
      2   0.319521D+01 -0.173968D+01 -0.861988D+00 -0.351617D+01  0.194754D+02
      3   0.118806D+01  0.124420D+02  0.107503D+02 -0.230874D+01  0.455084D+01
               116           117           118           119           120 
      1  -0.387321D+01 -0.239887D+01  0.571227D+00  0.122353D+01  0.211419D+00
      2  -0.139024D+00 -0.704379D+00  0.326824D+01  0.543470D+00  0.553619D+01
      3  -0.300355D+01 -0.225088D+01 -0.675623D+01 -0.569588D+01 -0.165030D+01
               121           122           123           124           125 
      1   0.275317D+00  0.221589D+01  0.228892D+00 -0.522382D-04  0.274416D+01
      2  -0.101028D+01  0.515819D+01  0.642117D+01  0.482857D+01  0.532403D+01
      3  -0.265224D+01 -0.872953D+01 -0.712456D+01 -0.122409D+01 -0.830582D+01
               126           127           128           129           130 
      1   0.802941D+00  0.891200D+00 -0.146194D+01 -0.228876D+01 -0.208033D+00
      2   0.996001D+01  0.699490D+01  0.358264D+01 -0.917052D+01  0.745089D+00
      3  -0.692055D+01  0.363588D+01  0.523699D+01 -0.615179D+01  0.328011D+01
               131           132           133           134           135 
      1  -0.429801D+00 -0.247520D+01 -0.146211D+01  0.133127D+01  0.617373D+01
      2   0.454370D+01 -0.661954D+01 -0.594569D+01 -0.939805D+01  0.243073D+02
      3   0.568665D+01 -0.529563D+01 -0.306001D+01 -0.736827D+01  0.127772D+02
               136           137           138           139           140 
      1  -0.205354D+01 -0.737621D+00 -0.164827D+01  0.144277D-01 -0.722669D+01
      2  -0.272401D+01  0.818362D+00 -0.170808D+01  0.870520D+00 -0.627895D+01
      3   0.527144D+01  0.333094D+01  0.154675D+01  0.282001D+01  0.167733D+02
               141           142           143           144           145 
      1  -0.722522D+01 -0.143729D+00 -0.486929D+01 -0.706599D+01  0.523621D+00
      2  -0.657767D+01 -0.143848D+01 -0.641855D+01 -0.710578D+01 -0.638968D+01
      3   0.724310D+01  0.170106D+01  0.116018D+02  0.865768D+01 -0.850127D+01
               146           147           148           149           150 
      1   0.169453D+01  0.185602D+01  0.100311D+01 -0.224750D+00 -0.118702D+01
      2   0.112855D+00  0.600421D+01  0.642771D+00 -0.167716D+01 -0.284591D+00
      3  -0.642360D+01 -0.497697D+00 -0.141773D+01 -0.344504D+00  0.130765D+01
               151           152           153           154           155 
      1   0.119288D+01 -0.274877D+00  0.322016D+00 -0.345820D+01 -0.151470D+01
      2   0.255564D+01 -0.160590D+01  0.245632D+01  0.913768D+01  0.341338D+00
      3  -0.142183D+01  0.770940D+00  0.600067D+00 -0.567588D+01 -0.241920D+02
               156           157           158           159           160 
      1  -0.540354D+01 -0.813500D+01 -0.340944D+01  0.174407D+00 -0.286054D+01
      2   0.214291D+02 -0.194551D+01  0.123812D+01  0.599342D+01  0.778352D+01
      3   0.105583D+01 -0.164148D+02 -0.150422D+02  0.157360D+01  0.374139D+00
               161           162           163           164           165 
      1   0.258543D+01  0.346009D+00 -0.585104D+01 -0.235486D+01  0.620810D+00
      2   0.389410D+01 -0.135561D+01  0.867538D+01  0.383214D+01  0.794979D+00
      3   0.212077D+01 -0.217324D+01 -0.551526D+01 -0.325937D+01 -0.210211D+00
               166           167           168           169           170 
      1  -0.525672D+01 -0.544145D+00  0.458056D+01  0.168276D+01  0.751742D+01
      2   0.389595D+01 -0.526979D+01  0.129390D+01 -0.999090D+01  0.921683D+00
      3   0.112111D+01 -0.167503D+00  0.595492D+01 -0.180338D+01  0.254017D+01
               171           172           173           174           175 
      1   0.299924D+01  0.686543D+01  0.226651D+01 -0.144678D+01  0.629664D+01
      2  -0.220426D+02 -0.201984D+02 -0.250855D+01 -0.539253D+01 -0.446918D+01
      3  -0.589314D+00  0.315217D+01  0.175323D+01 -0.108632D+01  0.519780D+01
               176           177           178           179           180 
      1   0.827866D+00 -0.272964D+01 -0.149619D+01 -0.112649D+01  0.657594D+00
      2  -0.241038D+01 -0.163855D+01 -0.435354D+00  0.355715D+00 -0.181920D+01
      3   0.189037D+00  0.428692D+00 -0.160491D+01 -0.850213D+00  0.597048D+00
               181           182           183           184           185 
      1  -0.284586D+00 -0.120751D+01 -0.671276D+01  0.350317D+01 -0.241210D+01
      2  -0.138067D+01  0.111853D+01  0.751097D+01  0.261999D+01 -0.782313D+01
      3   0.225458D+02 -0.145357D+02  0.254651D+00 -0.477722D+01  0.258767D+02
               186           187           188           189           190 
      1  -0.185598D+01 -0.156769D+02  0.476767D+01 -0.318136D+01 -0.174921D+01
      2   0.207548D+01  0.355007D+00  0.105871D+02  0.485685D+01  0.951902D+01
      3   0.459909D+01 -0.255113D+00  0.518662D+01  0.219642D+01  0.890131D+01
               191           192           193           194           195 
      1  -0.596313D+01 -0.158680D+01 -0.673460D+01 -0.465080D+01  0.330212D+01
      2  -0.336531D+01  0.295126D+01 -0.251270D+01  0.509124D+01  0.131907D+01
      3   0.188918D+02  0.482277D+01  0.460739D+02 -0.227911D+02  0.152989D+01
               196           197           198           199           200 
      1   0.107665D+01  0.126371D+02  0.311135D+01 -0.439636D-01  0.417522D+01
      2   0.227492D+01  0.278276D+01  0.374903D+01 -0.140077D+02  0.131227D+01
      3   0.103321D+02  0.107182D+01 -0.401424D+00  0.739106D+01 -0.176632D+02
               201           202           203           204           205 
      1   0.537519D+00  0.113389D+01  0.203489D+01 -0.340908D+01  0.338282D+01
      2   0.255245D+01 -0.101394D+01  0.272755D+01 -0.562830D+01 -0.204692D+02
      3  -0.227965D+01 -0.979156D+01  0.132965D+01 -0.365510D+01 -0.468945D+01
               206           207           208           209           210 
      1   0.379932D+01  0.663220D+00  0.184035D+01  0.542396D+01  0.160948D+01
      2  -0.128932D+02 -0.636346D+01  0.663991D+00  0.471831D+01  0.105309D+02
      3  -0.536428D+01  0.563479D+01 -0.157653D+02 -0.364266D+02 -0.629100D+01
               211           212           213           214           215 
      1   0.661898D+00  0.152235D+01 -0.620737D+01 -0.292492D+01  0.110239D+00
      2   0.175964D+01  0.229862D+01 -0.697235D+01 -0.476208D+01  0.479193D+01
      3   0.207221D+01 -0.699019D+01 -0.255350D+01 -0.281402D+01 -0.499167D+01
               216           217           218           219           220 
      1  -0.138081D+01 -0.238720D+01 -0.124696D+01  0.158455D+01  0.968644D+00
      2   0.512645D+00 -0.681459D+01 -0.333657D+01  0.763261D+01 -0.383220D+01
      3  -0.262377D+01  0.320511D+02 -0.112617D+02  0.735442D+01 -0.303975D+01
               221           222           223           224           225 
      1  -0.819687D+00  0.791400D+01 -0.102732D+02  0.881961D+01  0.462997D+01
      2  -0.707503D+01  0.314310D+02 -0.702172D+01  0.207029D+02  0.150731D+02
      3  -0.171186D+02  0.856586D+01  0.495192D+01  0.606925D+01 -0.261635D+02
               226           227           228           229           230 
      1   0.478721D+00 -0.578810D+00  0.159441D+01  0.382381D+00  0.631802D-01
      2   0.106941D+01 -0.922236D+00  0.319526D+00 -0.113399D+01  0.314084D+01
      3  -0.820773D+01  0.738426D+01  0.434376D+00  0.683696D+01 -0.199541D+02
               231           232           233           234           235 
      1  -0.450270D+01 -0.102224D+01  0.208326D+01 -0.555033D+00 -0.132403D+01
      2   0.591559D+00  0.311755D-01  0.384174D+00  0.818009D-01  0.181498D+01
      3  -0.309267D+01  0.891329D-01 -0.257249D+01  0.282079D+00  0.362157D+00
               236           237           238           239           240 
      1  -0.141026D+00 -0.254980D+01 -0.880153D+00  0.754905D-01 -0.356478D+01
      2   0.171669D+01  0.350725D+01  0.264298D+01  0.317505D+01  0.461213D+01
      3  -0.592193D+01 -0.572541D+00 -0.582179D+01 -0.134339D+02 -0.246121D+01
               241           242           243           244           245 
      1   0.263952D+01  0.118496D+01 -0.270195D+00  0.285267D+00 -0.486707D+00
      2  -0.262117D+01  0.155097D+01  0.115022D+01  0.193992D+00 -0.581631D+00
      3  -0.968959D+00 -0.253737D+01 -0.190975D+01  0.252983D+01 -0.240188D+01
               246           247           248           249           250 
      1   0.755755D+00 -0.634507D+00  0.321853D+00 -0.301157D+01  0.271110D+00
      2   0.426685D+00 -0.557435D+00 -0.147723D+01 -0.227836D+01 -0.171614D+01
      3   0.845872D-01 -0.633272D+00  0.146776D+02  0.212849D+01 -0.420119D-01
               251           252           253           254           255 
      1   0.153259D+01 -0.895316D-01  0.138225D+01  0.610281D+00  0.132035D+01
      2   0.103278D+01 -0.995992D-01  0.516090D+01  0.401561D-01  0.972948D+01
      3   0.295303D+01 -0.382297D+00 -0.121576D+02 -0.874651D+01 -0.146398D+01
               256           257           258           259           260 
      1   0.244953D+00  0.455817D+00 -0.671809D+00  0.173762D+01  0.529751D-01
      2   0.527322D+00  0.124947D+01  0.242044D+00  0.742845D+01 -0.175658D+01
      3  -0.601292D+01 -0.337424D+01 -0.168636D+01 -0.143889D+01 -0.231469D+01
               261           262           263           264           265 
      1   0.105411D+00 -0.641928D+00  0.144771D+00 -0.121569D+01  0.794321D+00
      2   0.188225D+01 -0.605003D+01  0.116853D+01 -0.259471D+01  0.529925D+01
      3   0.131036D+01 -0.432527D+00  0.272906D+01  0.380889D+00 -0.413805D+01
               266           267           268           269           270 
      1  -0.178232D+01 -0.405741D+01  0.400107D+01 -0.106385D+01 -0.940941D+01
      2  -0.766665D+01 -0.122050D+02  0.941132D+01 -0.128336D+02 -0.324479D+02
      3   0.123448D+02  0.859909D+01 -0.647954D+01  0.125237D+02  0.158984D+02
               271           272           273           274           275 
      1   0.730822D-01 -0.681207D-01 -0.238258D+01 -0.517522D+00  0.802274D+00
      2   0.533057D+01  0.261417D+01 -0.594240D+01 -0.289389D+01  0.121093D+02
      3   0.128260D+01  0.752754D+01 -0.500187D+01 -0.464229D+01  0.256129D+02
               276           277           278           279 
      1  -0.444598D+01  0.186542D+01 -0.862377D+00  0.486493D+01
      2  -0.146538D+02  0.337095D+01 -0.138851D+02  0.174851D+02
      3  -0.151079D+02  0.347385D+01 -0.162292D+02  0.173542D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713288D+02 -0.308035D+02 -0.102600D+02  0.809913D+02  0.161791D+01
      2   0.373355D+02  0.189579D+02  0.790617D+01 -0.361532D+02  0.979816D+01
      3   0.339933D+02  0.118456D+02  0.235381D+01 -0.448381D+02 -0.114161D+02
      4  -0.746630D+01  0.149572D+02  0.326946D+01  0.115374D+02  0.224427D+02
      5  -0.929576D+01  0.118913D+01 -0.334669D+01  0.300289D+00  0.193144D+01
      6  -0.152068D+01  0.415272D+01 -0.700003D+00 -0.199596D+01 -0.784070D-01
                 6             7             8             9            10 
      1   0.105934D+02  0.519411D+01 -0.147863D+01 -0.879130D+01  0.862510D+02
      2  -0.194133D+01  0.553882D-01  0.338008D+01 -0.965700D-01 -0.339240D+02
      3  -0.865208D+01 -0.524950D+01 -0.190145D+01  0.888787D+01 -0.523271D+02
      4   0.549350D+01  0.129615D+01  0.436077D+01  0.274375D+01 -0.258777D+02
      5  -0.324951D+01 -0.526178D+00  0.169228D+01 -0.328554D+01  0.454278D+01
      6  -0.371569D+00 -0.303882D+01  0.501117D+01 -0.249716D+01 -0.286694D+00
                11            12            13            14            15 
      1  -0.157026D+02  0.773779D+01 -0.817928D+02 -0.282719D+02 -0.121797D+02
      2   0.122001D+02 -0.594929D+00  0.315143D+02  0.173883D+02  0.810305D+01
      3   0.350243D+01 -0.714286D+01  0.502786D+02  0.108835D+02  0.407665D+01
      4   0.120638D+02  0.235951D+01 -0.302112D+02 -0.178727D+02 -0.465897D+01
      5   0.372316D+01 -0.106257D+02 -0.366280D+01 -0.524054D+00  0.114069D+01
      6   0.851329D+00  0.106895D+00 -0.148446D+01  0.468898D+01 -0.120038D+01
                16            17            18            19            20 
      1  -0.367096D+01 -0.530887D+01 -0.710427D+01  0.369322D+02  0.389478D+02
      2   0.375395D+01  0.296774D+01 -0.150784D+01 -0.187861D+02 -0.258306D+02
      3  -0.829901D-01  0.234113D+01  0.861211D+01 -0.181461D+02 -0.131172D+02
      4  -0.836630D+01 -0.134281D+01 -0.501302D+01  0.136409D+02 -0.191872D+02
      5   0.202071D+01 -0.278902D+01 -0.446889D+01  0.715979D+01  0.184549D+01
      6  -0.283944D+01  0.501170D+01 -0.151512D+01  0.309097D+01 -0.885471D+01
                21            22            23            24            25 
      1   0.137588D+02 -0.139515D+02  0.195922D+02  0.971462D+01  0.225144D+01
      2  -0.775124D+01  0.208467D+02 -0.219762D+02 -0.565429D+01  0.502959D+01
      3  -0.600757D+01 -0.689515D+01  0.238404D+01 -0.406033D+01 -0.728102D+01
      4  -0.716235D+00  0.112490D+02 -0.167018D+01  0.199421D+01  0.792846D+01
      5  -0.113137D-01  0.461133D+01  0.274260D+01 -0.485702D+01  0.907454D+01
      6  -0.109775D+01  0.662951D+01 -0.101005D+02  0.489728D+01  0.809003D+00
                26            27            28            29            30 
      1   0.170079D+02 -0.446767D+01  0.225803D+02  0.625917D+01 -0.777754D+01
      2  -0.107415D+02 -0.449339D+01 -0.279166D+02 -0.243114D+01  0.250975D+01
      3  -0.626642D+01  0.896106D+01  0.533623D+01 -0.382804D+01  0.526778D+01
      4   0.574923D+00 -0.471102D+01  0.116256D+02  0.123721D+02  0.186163D+01
      5  -0.762357D+01 -0.493275D+01 -0.597624D+01  0.224811D+01  0.660999D+01
      6   0.817902D+01 -0.366581D+01 -0.523965D+01  0.341323D+01  0.130220D+01
                31            32            33            34            35 
      1  -0.212212D+02 -0.539924D+02 -0.123571D+02 -0.136586D+02 -0.120286D+02
      2   0.141316D+02  0.443342D+02  0.135778D+02 -0.132771D+01  0.878642D+01
      3   0.708956D+01  0.965823D+01 -0.122065D+01  0.149863D+02  0.324215D+01
      4  -0.350747D+02  0.160570D+02  0.427132D+01 -0.110134D+02  0.565458D+01
      5  -0.142356D+02  0.416544D+00 -0.445289D+00  0.205569D+02  0.483165D+01
      6  -0.401813D+01  0.149771D+02 -0.576187D-01 -0.118065D+01  0.722880D+01
                36            37            38            39            40 
      1  -0.787315D+01 -0.124515D+02 -0.639888D+02 -0.142224D+02  0.275563D+02
      2  -0.599850D+01  0.587338D+01  0.456265D+02  0.436007D+01 -0.251117D+02
      3   0.138716D+02  0.657816D+01  0.183623D+02  0.986230D+01 -0.244454D+01
      4   0.192471D+01 -0.248648D+02  0.113457D+01 -0.488392D+01  0.218077D+02
      5   0.331427D+01 -0.751514D+00 -0.791512D+01  0.139504D+01  0.113458D+01
      6  -0.173722D+01 -0.638403D+01  0.869727D+01  0.106751D+02 -0.566861D+01
                41            42            43            44            45 
      1   0.309748D+02  0.725177D+01 -0.163949D+01 -0.579631D+01 -0.177676D+02
      2  -0.271727D+02 -0.832548D+01 -0.117755D+02 -0.384030D+01 -0.136718D+01
      3  -0.380212D+01  0.107371D+01  0.134150D+02  0.963661D+01  0.191348D+02
      4  -0.206733D+02 -0.616961D+01 -0.929177D+01 -0.756694D+01  0.479416D+01
      5  -0.419890D+01  0.516995D+01  0.130569D+02  0.443938D+01  0.626736D+01
      6  -0.125941D+02 -0.397032D+00  0.147849D+02  0.105835D+02  0.793641D+01
                46            47            48            49            50 
      1   0.182414D+02  0.531230D+02  0.170167D+02 -0.132030D+02  0.717611D+01
      2  -0.120120D+02 -0.341336D+02 -0.481315D+01  0.120991D+02 -0.121756D+02
      3  -0.622941D+01 -0.189894D+02 -0.122035D+02  0.110387D+01  0.499949D+01
      4   0.268844D+02 -0.129236D+02  0.383463D+00  0.170599D+02  0.105897D+02
      5  -0.512290D+01 -0.183646D+00  0.127842D+01 -0.542326D+00  0.187032D+01
      6   0.207116D+01 -0.119258D+02 -0.113321D+02  0.471829D+01 -0.771687D+01
                51            52            53            54            55 
      1   0.361510D+01  0.250978D+01  0.102820D+02 -0.197152D+02 -0.235391D+02
      2  -0.648048D+01  0.213524D+01 -0.179547D+02  0.625585D+01  0.476677D+01
      3   0.286538D+01 -0.464502D+01  0.767265D+01  0.134594D+02  0.187723D+02
      4   0.381451D+01  0.634236D+01 -0.150339D+01 -0.323669D+01 -0.117883D+02
      5   0.253942D+00  0.450949D+01 -0.124143D+01 -0.468971D+01  0.415206D+01
      6   0.607003D+01 -0.467571D+01  0.172381D+02  0.532049D+01  0.201218D+01
                56            57            58            59            60 
      1   0.384541D+02  0.804633D+01 -0.579040D+01  0.144771D+02  0.626278D+01
      2  -0.320924D+02 -0.283758D+01  0.638057D+01 -0.171927D+02 -0.699530D+01
      3  -0.636170D+01 -0.520875D+01 -0.590169D+00  0.271569D+01  0.732521D+00
      4  -0.551057D+02 -0.852184D+01  0.140589D+02  0.906701D+01 -0.741917D+00
      5  -0.433825D+01 -0.985077D+01  0.454647D+01 -0.968552D+00  0.518620D+01
      6  -0.609956D+01 -0.125498D+02  0.347833D+01 -0.832601D+01  0.728659D+01
                61            62            63            64            65 
      1  -0.120275D+01  0.113764D+02 -0.259862D+02  0.563674D+01 -0.389439D+00
      2   0.162728D+01 -0.163743D+02  0.113889D+02 -0.313702D+00 -0.208121D+01
      3  -0.424531D+00  0.499792D+01  0.145972D+02 -0.532304D+01  0.247065D+01
      4   0.706008D+00 -0.118395D+02  0.704735D+01 -0.116743D+02  0.102219D+02
      5  -0.112315D+01  0.119342D+02 -0.867059D+00  0.457950D+01 -0.137241D+01
      6  -0.497592D+01  0.204889D+02  0.863548D+00 -0.283407D+01  0.168972D+01
                66            67            68            69            70 
      1   0.198694D+01  0.361510D+01 -0.186931D+02 -0.111015D+01  0.389550D+01
      2  -0.114832D+01 -0.828408D+01  0.258233D+02  0.915519D+00 -0.293393D+01
      3  -0.838617D+00  0.466898D+01 -0.713017D+01  0.194629D+00 -0.961576D+00
      4  -0.896975D+00  0.139802D+02 -0.191468D+02 -0.710173D+00  0.850406D-01
      5   0.180298D+01 -0.742844D+00 -0.590690D+00 -0.242699D+01  0.116763D+01
      6  -0.124831D+01  0.165026D+01 -0.209787D+01  0.454641D+01 -0.229366D+01
                71            72            73            74            75 
      1  -0.334522D+01 -0.216865D+01  0.118557D+01 -0.500799D+01 -0.209269D+01
      2   0.340378D+01  0.244121D+01  0.500203D+01  0.102817D+02  0.166773D+01
      3  -0.585557D-01 -0.272560D+00 -0.618760D+01 -0.527368D+01  0.424960D+00
      4  -0.210654D+01 -0.130775D+01  0.213464D+02  0.200899D+02  0.551082D+01
      5  -0.315990D+00 -0.700465D-02  0.813416D+01  0.584120D+01  0.518333D+01
      6   0.178335D+01  0.894010D+00  0.735680D+01  0.746274D+01  0.466517D+01
                76            77            78            79            80 
      1  -0.909455D+01 -0.198230D+02 -0.627120D+01 -0.607808D+00 -0.404926D+01
      2   0.153484D+02  0.285977D+02  0.536961D+01  0.391077D+01  0.526940D+01
      3  -0.625389D+01 -0.877474D+01  0.901593D+00 -0.330296D+01 -0.122014D+01
      4   0.228843D+02  0.284105D+02  0.692187D+01  0.713176D+01  0.689427D+01
      5   0.663078D+01  0.722900D+01  0.506904D+01  0.207603D+01  0.341540D+01
      6   0.993672D+01  0.141218D+02  0.876466D+01  0.130304D+01  0.519231D+01
                81            82            83            84            85 
      1  -0.165241D+01 -0.463642D+01  0.962190D+01  0.962332D+00  0.831535D+01
      2   0.219662D+01  0.769220D+01 -0.143089D+02 -0.110661D+01 -0.105414D+02
      3  -0.544210D+00 -0.305578D+01  0.468705D+01  0.144282D+00  0.222607D+01
      4   0.404743D+01 -0.746249D+01  0.144791D+02  0.201382D+01  0.961152D+01
      5   0.221261D+01 -0.248052D+01  0.357541D+01  0.261042D+01  0.256705D+01
      6   0.310619D+01  0.250148D+01 -0.343143D+01 -0.247212D+01 -0.364839D+01
                86            87            88            89            90 
      1  -0.430521D+02 -0.746952D+01  0.852661D+00 -0.640801D+01 -0.205539D+01
      2   0.566226D+02  0.690633D+01 -0.160165D+01  0.769809D+01  0.218537D+01
      3  -0.135705D+02  0.563193D+00  0.748989D+00 -0.129009D+01 -0.129979D+00
      4  -0.199527D+02 -0.307626D+01  0.153620D+01 -0.110002D+01 -0.206751D+01
      5  -0.628524D+01 -0.259454D+01  0.138746D+01 -0.237745D+01 -0.629515D+00
      6   0.153884D+02  0.921436D+01 -0.453911D-01  0.483192D+01  0.204736D+01
                91            92            93            94            95 
      1  -0.304393D+02 -0.170647D+02  0.114709D+02 -0.975511D+01 -0.392397D+01
      2   0.247250D+02  0.148444D+02 -0.610544D+01  0.110386D+02  0.292863D+01
      3   0.571424D+01  0.222023D+01 -0.536544D+01 -0.128347D+01  0.995342D+00
      4  -0.183391D+02 -0.160350D+02  0.280446D+01 -0.259212D+02  0.138927D+02
      5   0.133532D+02  0.233606D+01 -0.223718D+02 -0.507355D+00 -0.255537D+02
      6   0.118323D+01 -0.542573D+01  0.111473D+00 -0.710313D+01  0.283216D+01
                96            97            98            99           100 
      1  -0.260318D+01  0.282349D+02  0.558900D+01 -0.178040D+02 -0.642609D+02
      2   0.580156D+01 -0.202831D+02  0.637353D+00  0.123868D+02  0.378806D+02
      3  -0.319837D+01 -0.795175D+01 -0.622635D+01  0.541722D+01  0.263803D+02
      4  -0.259402D+02  0.677813D+01 -0.202046D+02 -0.147131D+02  0.192300D+02
      5  -0.625616D+01 -0.387460D+02 -0.151907D+02 -0.163409D+01 -0.291324D+02
      6  -0.935618D+01 -0.739564D+01 -0.309201D+01 -0.679311D+01  0.420211D+01
               101           102           103           104           105 
      1   0.198989D+02 -0.277824D+02 -0.191027D+01  0.100910D+02 -0.273329D+01
      2  -0.144511D+02  0.860190D+01 -0.332919D+01 -0.639884D+01 -0.145504D+02
      3  -0.544787D+01  0.191805D+02  0.523946D+01 -0.369216D+01  0.172837D+02
      4   0.176498D+02 -0.422245D+01  0.217420D+02 -0.161091D+02  0.263686D+02
      5  -0.543450D+01  0.200734D+02 -0.792348D+01  0.268069D+02  0.101997D+02
      6   0.641872D+01 -0.121568D+02  0.899260D+01 -0.118345D+02 -0.363740D+01
               106           107           108           109           110 
      1  -0.195763D+02 -0.671578D+01  0.346292D+02 -0.894575D+02 -0.178557D+02
      2   0.925599D+01 -0.112887D+02 -0.161652D+02  0.334548D+02 -0.161459D-01
      3   0.103203D+02  0.180044D+02 -0.184639D+02  0.560028D+02  0.178718D+02
      4  -0.574290D+01  0.171867D+02  0.148275D+02 -0.335860D+02 -0.253067D+02
      5   0.126459D+02  0.187595D+02 -0.114737D+02  0.140486D+02  0.667096D+01
      6  -0.665208D+01 -0.883494D+01  0.142181D+02  0.165119D+01  0.244435D+01
               111           112           113           114           115 
      1   0.836792D+01 -0.194400D+02 -0.108224D+02  0.366072D+01 -0.387739D+02
      2  -0.133627D+01  0.391697D+01  0.618164D+01 -0.458344D+00  0.288141D+02
      3  -0.703165D+01  0.155231D+02  0.464073D+01 -0.320237D+01  0.995978D+01
      4   0.470812D+01  0.479136D+01 -0.132619D+02  0.230135D+01 -0.479264D+01
      5  -0.723026D+01  0.420624D+01  0.335338D+01 -0.114541D+01  0.322739D+02
      6  -0.266637D+01  0.408105D+01  0.809635D+00  0.314167D+01  0.983015D+01
               116           117           118           119           120 
      1  -0.347028D+01  0.263999D+02  0.116884D+02  0.781658D+01  0.556819D+01
      2   0.452629D+01 -0.792940D+01 -0.908984D+01 -0.565001D+01 -0.510193D+01
      3  -0.105601D+01 -0.184705D+02 -0.259855D+01 -0.216657D+01 -0.466264D+00
      4  -0.213474D+00  0.682692D+01  0.139127D+02  0.120227D+02  0.473650D+01
      5   0.674637D+01 -0.255058D+01  0.143098D+02  0.561179D+01  0.159902D+02
      6  -0.126402D+01  0.999642D+00  0.537881D+01  0.292459D+01  0.307591D+01
               121           122           123           124           125 
      1   0.166041D+02  0.722885D+00 -0.641326D+00  0.790642D+01 -0.125868D+01
      2  -0.107227D+02 -0.298324D+00 -0.239784D+01 -0.817168D+01 -0.325262D+01
      3  -0.588143D+01 -0.424560D+00  0.303917D+01  0.265268D+00  0.451129D+01
      4   0.158686D+02  0.185421D+02  0.155440D+02  0.629594D+01  0.159954D+02
      5   0.111899D+02  0.158356D+02  0.149727D+02  0.219047D+02  0.134760D+02
      6   0.479078D+01  0.936207D+01  0.983370D+01  0.515871D+01  0.847420D+01
               126           127           128           129           130 
      1  -0.460591D+00 -0.539744D+01 -0.978145D+01  0.195178D+02 -0.204928D+01
      2  -0.972334D+01  0.129165D+00  0.582072D+01 -0.427822D+01  0.872684D+00
      3   0.101839D+02  0.526828D+01  0.396073D+01 -0.152396D+02  0.117660D+01
      4   0.135591D+02  0.539560D+00 -0.620699D+01  0.267535D+01  0.998496D+00
      5   0.280720D+02  0.413019D+01  0.468783D+01 -0.980758D+01 -0.625962D+00
      6   0.952563D+01 -0.347982D+01 -0.632906D+01  0.102256D+02 -0.133190D+01
               131           132           133           134           135 
      1  -0.116216D+02  0.107730D+02  0.128517D+02  0.136412D+02 -0.356148D+02
      2   0.724484D+01 -0.386963D+01 -0.521624D+01 -0.391976D+01 -0.869401D+00
      3   0.437680D+01 -0.690342D+01 -0.763547D+01 -0.972141D+01  0.364842D+02
      4  -0.725503D+01  0.568938D+01 -0.668601D+01  0.123019D+02 -0.144631D+02
      5   0.558160D+01 -0.101267D+02  0.533914D+01 -0.172221D+02  0.396053D+02
      6  -0.856544D+01  0.131194D+02  0.331641D+00  0.161162D+02 -0.274472D+02
               136           137           138           139           140 
      1   0.982210D+00 -0.680711D+01 -0.152135D+01 -0.721288D+01 -0.128989D+02
      2   0.165112D+01  0.574847D+01  0.235979D+01  0.180498D+01  0.261236D+02
      3  -0.263333D+01  0.105864D+01 -0.838432D+00  0.540791D+01 -0.132247D+02
      4  -0.227428D+01 -0.240239D+01  0.181940D+01  0.899703D+01 -0.285306D+02
      5  -0.270228D+01  0.181737D+00 -0.366761D+01 -0.303823D+00 -0.123757D+02
      6   0.216184D+01 -0.784554D+00  0.277579D+01 -0.390414D+00  0.380298D+01
               141           142           143           144           145 
      1  -0.395306D+01 -0.692318D+01 -0.418619D+01 -0.881660D+01  0.102498D+03
      2   0.115620D+02  0.217522D+01  0.142665D+02  0.999566D+01 -0.544249D+02
      3  -0.760896D+01  0.474796D+01 -0.100803D+02 -0.117906D+01 -0.480728D+02
      4  -0.111951D+02  0.100520D+02 -0.221348D+02 -0.105295D+02 -0.438759D+02
      5  -0.130053D+02 -0.824230D+00 -0.117540D+02 -0.149513D+02  0.393214D+02
      6   0.780134D+01  0.665668D+00  0.613837D+01  0.704558D+01 -0.872869D+01
               146           147           148           149           150 
      1  -0.153256D+02  0.154775D+02 -0.353892D+01  0.714011D+01  0.284642D-01
      2   0.468771D+01 -0.110669D+02 -0.120994D+01 -0.202192D+01  0.465683D+00
      3   0.106379D+02 -0.441055D+01  0.474885D+01 -0.511818D+01 -0.494147D+00
      4   0.206233D+02 -0.867123D+01  0.123633D+02 -0.428640D+01 -0.152626D-01
      5  -0.803709D+01  0.197428D+02 -0.281641D+00  0.134516D+01 -0.643129D+00
      6   0.473178D+01 -0.511226D+01  0.286263D+01 -0.167149D+00  0.201500D+01
               151           152           153           154           155 
      1   0.113446D+02 -0.744441D+00  0.660208D+01  0.193391D+03  0.330645D+02
      2  -0.882590D+01  0.200276D+01 -0.584661D+01 -0.885244D+02 -0.925730D+01
      3  -0.251874D+01 -0.125832D+01 -0.755467D+00 -0.104867D+03 -0.238072D+02
      4  -0.409959D+01  0.460858D+00 -0.545476D+01  0.529554D+02  0.466256D+02
      5   0.172612D+02 -0.463546D+01  0.993696D+01 -0.346476D+02 -0.920686D+01
      6  -0.354993D+01  0.286498D+01 -0.311323D+01 -0.152729D+01 -0.422468D+01
               156           157           158           159           160 
      1  -0.931026D+01  0.305206D+02  0.349372D+02 -0.277065D+00 -0.939566D+01
      2   0.931841D+01 -0.601006D+01 -0.837069D+01  0.591876D+00  0.947627D+01
      3  -0.814931D-02 -0.245105D+02 -0.265665D+02 -0.314810D+00 -0.806158D-01
      4  -0.663756D+01  0.544844D+02  0.376983D+02 -0.467207D+01 -0.566305D+01
      5   0.380215D+02 -0.569880D+01 -0.839758D+01  0.855254D+01  0.375724D+02
      6   0.349348D+01 -0.853711D+01 -0.490190D+01  0.603451D+01  0.464715D+01
               161           162           163           164           165 
      1  -0.141690D+01  0.218314D+02  0.544987D+02  0.102942D+02 -0.190164D+02
      2   0.146500D+01 -0.143077D+02 -0.361013D+02 -0.441908D+01  0.114482D+02
      3  -0.481038D-01 -0.752373D+01 -0.183974D+02 -0.587514D+01  0.756824D+01
      4  -0.234105D+01  0.915685D+01  0.160014D+02  0.759292D+01 -0.124471D+01
      5   0.917819D+01 -0.943145D+01 -0.339243D+02 -0.156429D+01  0.186757D+02
      6   0.523132D+01 -0.226028D+01 -0.585988D+01 -0.933031D+00  0.915381D+00
               166           167           168           169           170 
      1   0.161344D+02 -0.861560D+01  0.863283D+00  0.515199D+01  0.370387D+01
      2  -0.930147D+01  0.227760D+01 -0.954512D+00 -0.176969D+00 -0.222511D+01
      3  -0.683288D+01  0.633799D+01  0.912287D-01 -0.497503D+01 -0.147876D+01
      4   0.533242D+01 -0.132892D+01 -0.945547D+01  0.243626D+01 -0.465564D+01
      5  -0.652385D+01 -0.904396D+01  0.123506D+01  0.101953D+02  0.473541D+00
      6  -0.269635D+01 -0.199504D+01  0.112212D+02 -0.164438D+01  0.987679D+01
               171           172           173           174           175 
      1  -0.332352D+02 -0.512502D+02 -0.498103D+01 -0.212497D+01 -0.134303D+02
      2  -0.106159D+02  0.310443D+02  0.291505D+01 -0.714315D+01  0.956560D+01
      3   0.438512D+02  0.202059D+02  0.206598D+01  0.926812D+01  0.386473D+01
      4  -0.166742D+01 -0.113131D+02 -0.476699D+01  0.118535D+01 -0.199256D+01
      5  -0.380180D+02  0.257930D+02  0.179664D+01 -0.169614D+02  0.677965D+01
      6  -0.233834D+01  0.486648D+01  0.325812D+01 -0.141416D+01  0.181322D+01
               176           177           178           179           180 
      1  -0.474123D+01  0.141640D+00  0.119957D+02  0.196751D+01 -0.851452D+01
      2   0.293440D+01 -0.262208D+01 -0.110841D+02 -0.165444D+01  0.441822D+01
      3   0.180682D+01  0.248044D+01 -0.911655D+00 -0.313068D+00  0.409631D+01
      4  -0.770469D+00 -0.205996D+01  0.513311D+01  0.912506D+00 -0.175580D+01
      5  -0.161747D+01 -0.517681D+01 -0.100383D+02 -0.945806D+00  0.344528D+01
      6   0.125264D+01  0.218249D+01 -0.171008D+01  0.485461D+00  0.139044D+01
               181           182           183           184           185 
      1   0.335786D+02 -0.549659D+02 -0.751110D+01  0.401994D+02  0.225152D+02
      2  -0.163428D+02  0.443737D+02  0.242263D+01 -0.288294D+02 -0.226900D+02
      3  -0.172358D+02  0.105922D+02  0.508847D+01 -0.113700D+02  0.174777D+00
      4  -0.668332D+01  0.400934D+02 -0.142079D+01  0.110855D+02 -0.303560D+02
      5  -0.849893D+01 -0.366393D+01  0.122136D+02 -0.209844D+01 -0.114222D+02
      6  -0.701001D+01 -0.145229D+00  0.116324D+02 -0.718189D+01 -0.960673D+01
               186           187           188           189           190 
      1   0.547927D+01  0.517552D+01 -0.696502D+01  0.860847D+00  0.117618D+03
      2  -0.638502D+01 -0.131231D+02 -0.153227D+01 -0.827209D+01 -0.633269D+02
      3   0.905753D+00  0.794756D+01  0.849729D+01  0.741124D+01 -0.542912D+02
      4  -0.102645D+02 -0.109258D+02 -0.101580D+02  0.208969D+02  0.213205D+01
      5   0.685854D+01  0.311316D+02  0.175106D+02  0.117477D+02 -0.801112D+00
      6   0.189429D+01  0.212217D+02  0.139919D+02  0.632391D+01 -0.304429D+01
               191           192           193           194           195 
      1   0.110322D+02  0.957984D+01  0.564761D+02 -0.430032D+02 -0.638968D+01
      2   0.246683D+01 -0.238279D+01 -0.225578D+02  0.438767D+02  0.117281D+02
      3  -0.134991D+02 -0.719705D+01 -0.339183D+02 -0.873469D+00 -0.533845D+01
      4   0.157941D+02  0.113720D+01 -0.455518D+02  0.581440D+02  0.439552D+01
      5   0.223063D+01  0.847030D+01 -0.125015D+02  0.823718D+01  0.272844D+01
      6   0.804410D-01  0.297595D+01 -0.339120D+01  0.869444D+01 -0.558584D+01
               196           197           198           199           200 
      1   0.117733D+02 -0.116074D+02  0.216759D+02 -0.104663D+03  0.186028D+02
      2  -0.696863D+01  0.103017D+02 -0.189370D+02  0.427832D+02 -0.189560D+02
      3  -0.480470D+01  0.130572D+01 -0.273882D+01  0.618797D+02  0.353203D+00
      4  -0.170217D+02  0.958723D+01  0.300565D+01  0.260966D+02 -0.278742D+02
      5   0.465692D+02  0.912436D+01  0.864215D+01 -0.553575D+01 -0.242969D+01
      6   0.154328D+01  0.674861D+01 -0.310039D+01  0.225964D+01 -0.422631D+01
               201           202           203           204           205 
      1  -0.545721D+01 -0.913686D+02  0.117286D+02 -0.251461D+01 -0.275630D+02
      2   0.121189D+01  0.560470D+02 -0.195471D+02 -0.121447D+01  0.165113D+02
      3   0.424532D+01  0.353216D+02  0.781856D+01  0.372909D+01  0.110517D+02
      4  -0.613679D+00  0.234802D+02 -0.209298D+02  0.370783D+01  0.910775D+01
      5   0.610627D+01 -0.166542D+01  0.196270D+01 -0.123256D+02  0.428275D+01
      6  -0.112893D+01  0.621954D+01 -0.755664D+01  0.790346D+01 -0.146578D+01
               206           207           208           209           210 
      1   0.105235D+02 -0.139748D+02  0.226106D+02  0.675657D+01  0.254691D-01
      2  -0.102664D+02 -0.380548D+01 -0.142670D+02 -0.518730D+01 -0.216299D+01
      3  -0.257043D+00  0.177803D+02 -0.834363D+01 -0.156928D+01  0.213752D+01
      4  -0.749850D+00 -0.170374D+02  0.173105D+02  0.920236D+01 -0.234194D+00
      5  -0.214419D+02 -0.123837D+02  0.699978D+01 -0.112055D+01  0.190154D+02
      6   0.831673D+01 -0.899253D+00  0.837219D+00  0.203292D+01 -0.288696D+01
               211           212           213           214           215 
      1   0.173765D+02  0.270081D+01  0.455275D+01  0.336251D+01 -0.489512D+00
      2  -0.893347D+01 -0.572103D+00 -0.516965D+01 -0.375282D+01 -0.166734D+01
      3  -0.844307D+01 -0.212871D+01  0.616896D+00  0.390312D+00  0.215685D+01
      4   0.264929D+02  0.193648D+02  0.613035D+01  0.379371D+01  0.229862D+01
      5   0.641080D+01  0.452563D+01 -0.127693D+02  0.127413D+02  0.477731D+01
      6   0.478637D+00 -0.133302D+01  0.107607D+02  0.108608D+01  0.383151D+01
               216           217           218           219           220 
      1   0.476366D+01 -0.780583D+02 -0.932068D+01 -0.167547D+02 -0.265519D+02
      2  -0.342844D+01  0.451795D+02  0.178472D+01  0.102128D+02  0.105425D+02
      3  -0.133522D+01  0.328788D+02  0.753596D+01  0.654190D+01  0.160094D+02
      4   0.610374D+01 -0.156432D+02  0.261567D+02 -0.415711D+01  0.273529D+01
      5   0.376266D+01 -0.162301D+02 -0.445302D+01  0.103251D+02 -0.929333D+01
      6   0.291019D+01  0.724247D+00  0.329935D+01 -0.418453D+01  0.491131D+00
               221           222           223           224           225 
      1   0.215826D+02 -0.159730D+02 -0.155647D+02 -0.968195D+01  0.135067D+02
      2  -0.120318D+02  0.120810D+02  0.577016D+01  0.846348D+01 -0.107289D+02
      3  -0.955078D+01  0.389201D+01  0.979455D+01  0.121847D+01 -0.277773D+01
      4   0.164913D+01 -0.150499D+02 -0.622507D+01 -0.922769D+01  0.368552D+02
      5  -0.151371D+02  0.601458D+02 -0.130245D+02  0.377140D+02  0.296495D+02
      6   0.723490D+01 -0.216909D+02  0.908554D+01 -0.152551D+02 -0.569627D+01
               226           227           228           229           230 
      1  -0.755200D+01  0.169092D+02  0.144910D+01  0.848949D+01 -0.509476D+02
      2   0.879997D+01 -0.190794D+02 -0.148061D+01 -0.924303D+01  0.644538D+02
      3  -0.124797D+01  0.217018D+01  0.315035D-01  0.753540D+00 -0.135061D+02
      4  -0.211505D+01  0.472339D+01  0.730168D+00  0.270043D+01  0.122679D+02
      5  -0.788548D+00  0.132559D+01  0.126708D+01  0.301200D+00 -0.681062D+00
      6   0.756071D+00 -0.120648D+01 -0.233975D+01 -0.156323D+01  0.789940D+01
               231           232           233           234           235 
      1  -0.736187D+01  0.220810D+00 -0.692820D+01 -0.127385D+01  0.254106D+02
      2   0.719716D+01 -0.897386D+00  0.836236D+01  0.201166D+01 -0.334606D+01
      3   0.164704D+00  0.676576D+00 -0.143416D+01 -0.737800D+00 -0.220646D+02
      4   0.143318D+01 -0.999697D-01  0.273742D+01 -0.753096D+00  0.431770D+02
      5   0.122700D+01  0.219757D+01 -0.514985D+00  0.294513D+00  0.102698D+02
      6   0.808411D+01  0.566434D+00  0.360222D+01  0.171697D+01  0.630393D+01
               236           237           238           239           240 
      1   0.133496D+02  0.423745D+01  0.114876D+02  0.260536D+01  0.864635D+00
      2   0.374764D+01 -0.907818D+00  0.936803D+01  0.207532D+02  0.266046D+01
      3  -0.170973D+02 -0.332963D+01 -0.208556D+02 -0.233585D+02 -0.352510D+01
      4   0.379214D+02  0.975535D+01  0.451178D+02  0.548095D+02  0.124249D+02
      5   0.747602D+01  0.788150D+01  0.958063D+01  0.950564D+01  0.840913D+01
      6   0.548837D+01  0.479128D+01  0.788528D+01  0.967082D+01  0.781697D+01
               241           242           243           244           245 
      1   0.552736D+01  0.197843D+01 -0.561461D+00  0.568424D+01 -0.976498D+01
      2   0.147227D+01  0.325687D+01  0.186677D+01 -0.642293D-01  0.251379D+01
      3  -0.699963D+01 -0.523530D+01 -0.130531D+01 -0.562001D+01  0.725120D+01
      4   0.135090D+02  0.134483D+02  0.572727D+01 -0.162439D+02  0.143262D+02
      5   0.146943D+01  0.412409D+01  0.313701D+01 -0.241209D+01  0.114178D+01
      6   0.494798D+00  0.405896D+01  0.264321D+01  0.679525D+00  0.246194D-01
               246           247           248           249           250 
      1  -0.119180D+01 -0.119077D+02 -0.301751D+01 -0.108173D+01 -0.158257D+01
      2   0.462504D+00 -0.494581D+00  0.155507D+02  0.843107D+00  0.371347D+00
      3   0.729294D+00  0.124023D+02 -0.125332D+02  0.238628D+00  0.121122D+01
      4   0.606588D+00  0.256037D+02 -0.383412D+02 -0.409453D+01  0.274107D+01
      5   0.136590D+01  0.347257D+01 -0.654518D+01 -0.464320D+01  0.905766D+00
      6  -0.571793D+00 -0.146452D+01  0.322562D+01  0.438286D+01 -0.193966D+01
               251           252           253           254           255 
      1  -0.174262D+01 -0.149706D+01  0.199785D+03 -0.356770D+01  0.173865D+02
      2   0.249146D+01  0.203745D+01 -0.104840D+03 -0.177210D+00 -0.101884D+02
      3  -0.748835D+00 -0.540395D+00 -0.949444D+02  0.374491D+01 -0.719815D+01
      4  -0.559978D+01 -0.620729D+00 -0.207219D+02  0.157190D+02 -0.190255D+01
      5   0.112931D-01 -0.344826D+00  0.196573D+02 -0.502333D+00  0.194400D+02
      6   0.147629D+01  0.111816D+01 -0.322715D+01  0.722254D+00 -0.248092D+01
               256           257           258           259           260 
      1   0.228791D+02  0.142988D+02  0.266994D+01  0.227922D+02  0.472253D+00
      2  -0.143083D+02 -0.713244D+01 -0.205854D+01 -0.133890D+02 -0.914401D+00
      3  -0.857083D+01 -0.716638D+01 -0.611394D+00 -0.940320D+01  0.442148D+00
      4   0.158434D+02  0.380885D+01  0.307607D+01 -0.263447D+01  0.371948D+01
      5   0.183175D+01  0.330784D+01  0.808982D+00  0.234635D+02 -0.340188D+01
      6   0.474544D+00 -0.432820D+00  0.157092D+01 -0.250841D+01  0.248463D+01
               261           262           263           264           265 
      1   0.159676D+02  0.758841D+01 -0.233822D+01 -0.887678D+01 -0.455566D+01
      2  -0.950841D+01 -0.445501D+01  0.180818D+01  0.353648D+01  0.666997D+00
      3  -0.645921D+01 -0.313340D+01  0.530043D+00  0.534030D+01  0.388866D+01
      4  -0.440719D+01 -0.129640D+00 -0.133708D+01  0.381988D+01  0.160900D+02
      5   0.525108D+01 -0.833498D+01  0.275143D+01 -0.267377D+01  0.123055D+02
      6  -0.522760D+00  0.244980D+01 -0.564341D+00  0.218071D+01 -0.423156D+01
               266           267           268           269           270 
      1   0.113969D+01  0.326797D+01 -0.324960D+02  0.837696D+01  0.182622D+01
      2   0.301664D+01  0.706700D+00  0.183405D+02 -0.243653D+01 -0.686535D+01
      3  -0.415633D+01 -0.397467D+01  0.141554D+02 -0.594043D+01  0.503913D+01
      4  -0.188463D+02 -0.151103D+02  0.245475D+02 -0.212571D+02 -0.239680D+02
      5  -0.153558D+02 -0.240838D+02  0.322545D+02 -0.245543D+02 -0.629316D+02
      6   0.611952D+01  0.106963D+02 -0.966625D+01  0.107125D+02  0.170711D+02
               271           272           273           274           275 
      1  -0.528094D+01 -0.527114D+01  0.118544D+02 -0.946828D+01 -0.684292D+01
      2   0.249487D+01  0.469688D+01 -0.588409D+01  0.208053D+01  0.136090D+02
      3   0.278607D+01  0.574260D+00 -0.597028D+01  0.738775D+01 -0.676609D+01
      4   0.360223D+01 -0.717252D+01  0.329385D+01  0.212193D+02 -0.390173D+02
      5   0.559201D+01  0.413637D+01 -0.983079D+01 -0.926154D+01  0.240457D+02
      6  -0.134443D+01 -0.354159D+01  0.541518D+01  0.561255D+01 -0.142258D+02
               276           277           278           279 
      1   0.747865D+01  0.213421D+02  0.300439D+01 -0.945616D+01
      2  -0.803564D+01 -0.944387D+01 -0.490938D+01  0.255470D+01
      3   0.556990D+00 -0.118982D+02  0.190499D+01  0.690147D+01
      4   0.250559D+02 -0.168578D+02  0.258684D+02 -0.258104D+02
      5  -0.282090D+02  0.166083D+02 -0.258039D+02  0.326696D+02
      6   0.141500D+02 -0.755062D+01  0.139374D+02 -0.149970D+02
 Leave Link  716 at Tue Aug 17 20:48:51 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.298384D+03  0.839565D+01  0.154082D+02
      2   0.839565D+01  0.175451D+03  0.854767D+01
      3   0.154082D+02  0.854767D+01  0.121091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.152677D+01 -0.301141D+02 -0.118117D+01
      2   0.647450D+02  0.199648D+02 -0.131019D+02
      3   0.422420D+02 -0.591166D+02 -0.170593D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.275712D+03 -0.550967D+02  0.682123D+02
      2  -0.117517D+03  0.562691D+02 -0.170068D+02
      3  -0.158195D+03 -0.117238D+01 -0.512055D+02
      4  -0.493273D+02  0.126666D+03  0.499927D+02
      5  -0.156012D+01  0.530147D+02 -0.342763D+02
      6   0.197306D+02 -0.538160D+02 -0.208812D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.347079D+02 -0.356105D+01 -0.310575D+01  0.423219D+02  0.934534D+01
      2  -0.356105D+01 -0.963562D+00 -0.953002D+00  0.934534D+01  0.902284D+01
      3  -0.310575D+01 -0.953002D+00 -0.157618D+00  0.604946D+01  0.241556D+01
                 6             7             8             9            10 
      1   0.604946D+01  0.418088D+01  0.125611D+01 -0.353618D+00  0.386433D+02
      2   0.241556D+01  0.125611D+01  0.106072D+01  0.157848D+01  0.455464D+01
      3   0.429990D+00 -0.353618D+00  0.157848D+01  0.415769D+00  0.369114D+01
                11            12            13            14            15 
      1   0.455464D+01  0.369114D+01 -0.424404D+02 -0.866302D+01 -0.610853D+01
      2   0.429128D+01  0.105620D+01 -0.866302D+01 -0.763697D+01 -0.251356D+01
      3   0.105620D+01 -0.190338D-01 -0.610853D+01 -0.251356D+01 -0.489442D+00
                16            17            18            19            20 
      1  -0.281316D+01 -0.979874D+00  0.675181D+00  0.378563D+02  0.553924D+01
      2  -0.979874D+00 -0.335669D+00 -0.142824D+01  0.553924D+01  0.421816D+01
      3   0.675181D+00 -0.142824D+01 -0.387492D+00  0.324693D+01  0.950154D+00
                21            22            23            24            25 
      1   0.324693D+01  0.209253D+02  0.213316D+01  0.633679D+00  0.899179D+01
      2   0.950154D+00  0.213316D+01  0.466263D+01  0.271899D+00  0.169386D+00
      3   0.391754D+00  0.633679D+00  0.271899D+00  0.211777D+01 -0.853755D+00
                26            27            28            29            30 
      1   0.169386D+00 -0.853755D+00 -0.457449D+02 -0.481956D+01 -0.104353D+01
      2  -0.151829D-01  0.343820D+01 -0.481956D+01 -0.294104D+01 -0.347642D+00
      3   0.343820D+01  0.107697D+01 -0.104353D+01 -0.347642D+00 -0.202442D+01
                31            32            33            34            35 
      1  -0.111499D+02 -0.359805D+00  0.613991D+00 -0.592395D+01  0.488522D+00
      2  -0.359805D+00 -0.878489D+01 -0.223241D+01  0.488522D+00 -0.224620D+01
      3   0.613991D+00 -0.223241D+01 -0.564386D+00 -0.567024D+01 -0.126611D+01
                36            37            38            39            40 
      1  -0.567024D+01 -0.755734D+01  0.493965D-01 -0.456263D+00 -0.762797D+01
      2  -0.126611D+01  0.493965D-01 -0.961271D+01 -0.157792D+01 -0.224571D+01
      3  -0.180591D+01 -0.456263D+00 -0.157792D+01 -0.249790D+01  0.457891D+00
                41            42            43            44            45 
      1  -0.224571D+01  0.457891D+00 -0.166281D+01  0.103223D+01 -0.423831D+01
      2   0.310783D+01  0.135498D+01  0.103223D+01  0.136169D+00 -0.249370D+01
      3   0.135498D+01 -0.623558D+00 -0.423831D+01 -0.249370D+01 -0.299860D+01
                46            47            48            49            50 
      1   0.121471D+02  0.173735D+01  0.188991D+01 -0.202712D+00 -0.103860D+01
      2   0.173735D+01  0.669882D+01  0.233071D+01 -0.103860D+01 -0.659033D+00
      3   0.188991D+01  0.233071D+01  0.286104D+01 -0.143070D+00  0.891741D+00
                51            52            53            54            55 
      1  -0.143070D+00  0.127768D+01  0.356156D+00  0.169572D+01 -0.137710D+02
      2   0.891741D+00  0.356156D+00  0.221265D+01 -0.346606D+01 -0.389950D+01
      3  -0.123906D+01  0.169572D+01 -0.346606D+01 -0.129760D+01 -0.205941D+01
                56            57            58            59            60 
      1  -0.389950D+01 -0.205941D+01 -0.179710D+01  0.605441D+00 -0.218162D+00
      2  -0.997623D+01 -0.199415D+01  0.605441D+00 -0.303181D-02 -0.865052D+00
      3  -0.199415D+01 -0.277417D+01 -0.218162D+00 -0.865052D+00  0.139955D+01
                61            62            63            64            65 
      1  -0.179290D+01 -0.571064D+00 -0.178198D+01 -0.256819D+01  0.240258D+01
      2  -0.571064D+00 -0.270313D+01  0.344797D+01  0.240258D+01 -0.135105D+01
      3  -0.178198D+01  0.344797D+01  0.757096D+00 -0.339143D+00  0.214820D+00
                66            67            68            69            70 
      1  -0.339143D+00  0.319567D+01 -0.306109D+01 -0.653845D-01 -0.473584D+00
      2   0.214820D+00 -0.306109D+01  0.598350D+01  0.273432D+00 -0.646729D-01
      3  -0.203816D+00 -0.653845D-01  0.273432D+00  0.654498D+00 -0.228381D-01
                71            72            73            74            75 
      1  -0.646729D-01 -0.228381D-01 -0.497249D+01 -0.299465D+01 -0.114749D+01
      2   0.789150D+00  0.144914D+00 -0.299465D+01 -0.303173D+01 -0.905973D+00
      3   0.144914D+00  0.836910D-02 -0.114749D+01 -0.905973D+00 -0.691788D+00
                76            77            78            79            80 
      1  -0.346789D+01 -0.413566D+01 -0.123799D+01 -0.149348D+01 -0.122558D+01
      2  -0.413566D+01 -0.602348D+01 -0.155823D+01 -0.122558D+01 -0.135704D+01
      3  -0.123799D+01 -0.155823D+01 -0.113431D+01  0.844472D-01 -0.611006D+00
                81            82            83            84            85 
      1   0.844472D-01  0.141989D+01 -0.177900D+01 -0.202763D+00 -0.927170D+00
      2  -0.611006D+00 -0.177900D+01  0.278247D+01  0.317327D+00  0.208389D+01
      3  -0.265933D+00 -0.202763D+00  0.317327D+00  0.261206D+00  0.433150D+00
                86            87            88            89            90 
      1   0.208389D+01  0.433150D+00 -0.589492D-01  0.151517D+00 -0.596826D-01
      2  -0.936423D+01 -0.144821D+01  0.151517D+00 -0.143989D+01 -0.355333D+00
      3  -0.144821D+01 -0.103394D+01 -0.596826D-01 -0.355333D+00 -0.218071D+00
                91            92            93            94            95 
      1   0.200437D+02  0.321683D+01 -0.170880D+01  0.264233D+01  0.284027D+01
      2   0.321683D+01  0.173633D+01 -0.787809D+00  0.284027D+01 -0.135731D+01
      3  -0.170880D+01 -0.787809D+00  0.285202D+01 -0.322940D+00  0.304971D+01
                96            97            98            99           100 
      1  -0.322940D+00 -0.724713D+01 -0.139053D+01  0.568964D+01  0.738276D+01
      2   0.304971D+01 -0.139053D+01  0.179335D+01  0.224461D+01 -0.505830D+00
      3   0.112869D+01  0.568964D+01  0.224461D+01 -0.429483D+00  0.179745D+01
               101           102           103           104           105 
      1  -0.505830D+00  0.179745D+01  0.277907D+01 -0.254718D+01  0.110229D+01
      2  -0.228605D+01  0.133344D+01 -0.254718D+01  0.160042D+01 -0.302381D+01
      3   0.133344D+01 -0.327189D+01  0.110229D+01 -0.302381D+01 -0.176379D+01
               106           107           108           109           110 
      1   0.202259D+01  0.119103D+01 -0.210506D+01  0.343898D+01  0.187693D+01
      2   0.119103D+01 -0.204964D+01 -0.301821D+01  0.187693D+01  0.647115D+00
      3  -0.210506D+01 -0.301821D+01  0.279044D+01 -0.104350D-02 -0.323554D+00
               111           112           113           114           115 
      1  -0.104350D-02  0.136763D+01 -0.589298D+00  0.308100D+00  0.122875D+02
      2  -0.323554D+00 -0.589298D+00  0.118777D+00 -0.155613D+00  0.133551D+01
      3  -0.127483D+01  0.308100D+00 -0.155613D+00 -0.709917D+00 -0.521596D+01
               116           117           118           119           120 
      1   0.133551D+01 -0.521596D+01 -0.281862D+01 -0.156891D+01 -0.143073D+01
      2   0.786291D+00 -0.694584D+00 -0.156891D+01 -0.986820D+00 -0.406807D+00
      3  -0.694584D+00  0.256979D+00 -0.143073D+01 -0.406807D+00 -0.151283D+01
               121           122           123           124           125 
      1  -0.532817D+01 -0.185089D+01 -0.104705D+01 -0.234060D+01 -0.510271D+00
      2  -0.185089D+01 -0.248866D+01 -0.200360D+01 -0.510271D+00 -0.200139D+01
      3  -0.104705D+01 -0.200360D+01 -0.196062D+01 -0.235042D+01 -0.177440D+01
               126           127           128           129           130 
      1  -0.235042D+01  0.766654D+00  0.236706D+00 -0.109182D+01 -0.239428D+00
      2  -0.177440D+01  0.236706D+00  0.116671D+01 -0.108864D+01  0.233541D+00
      3  -0.363287D+01 -0.109182D+01 -0.108864D+01  0.243524D+01 -0.157662D+00
               131           132           133           134           135 
      1   0.233541D+00 -0.157662D+00 -0.178108D+01  0.259648D+00  0.259910D+00
      2   0.140199D+01 -0.118781D+01  0.259648D+00 -0.204872D+01  0.276733D+01
      3  -0.118781D+01  0.175488D+01  0.259910D+00  0.276733D+01 -0.685497D+01
               136           137           138           139           140 
      1   0.286497D+00  0.276157D+00  0.547833D+00  0.132161D+01 -0.566972D+00
      2   0.276157D+00  0.673752D+00 -0.106620D+00 -0.566972D+00  0.407981D+01
      3   0.547833D+00 -0.106620D+00  0.635187D+00 -0.826060D-01  0.155955D+01
               141           142           143           144           145 
      1  -0.826060D-01  0.167275D+01 -0.905222D+00  0.191132D+00 -0.127644D+02
      2   0.155955D+01 -0.905222D+00  0.292926D+01  0.163070D+01  0.250796D+01
      3   0.178341D+01  0.191132D+00  0.163070D+01  0.196412D+01 -0.228652D+01
               146           147           148           149           150 
      1   0.250796D+01 -0.228652D+01  0.776672D+00 -0.957906D+00 -0.391097D-01
      2  -0.154543D+01  0.600807D+00 -0.957906D+00  0.144070D+00  0.524067D-01
      3   0.600807D+00 -0.151024D+01 -0.391097D-01  0.524067D-01  0.447189D-01
               151           152           153           154           155 
      1  -0.148255D+01  0.147218D+00 -0.128211D+01 -0.183248D+02 -0.369067D+01
      2   0.147218D+00  0.436611D-01  0.509601D+00 -0.369067D+01 -0.252140D+01
      3  -0.128211D+01  0.509601D+00 -0.937487D+00  0.119918D+01  0.753298D+00
               156           157           158           159           160 
      1   0.119918D+01 -0.458044D+01 -0.459692D+01  0.229421D+00  0.185712D+01
      2   0.753298D+00 -0.459692D+01 -0.290685D+01  0.473074D+00  0.556659D+00
      3  -0.267107D+01  0.229421D+00  0.473074D+00 -0.520393D+00 -0.274274D+01
               161           162           163           164           165 
      1   0.556659D+00 -0.274274D+01 -0.123527D+02 -0.158755D+01  0.453415D+01
      2  -0.277506D+00 -0.870631D+00 -0.158755D+01  0.312300D+00  0.639447D-02
      3  -0.870631D+00  0.277660D+00  0.453415D+01  0.639447D-02 -0.857885D+00
               166           167           168           169           170 
      1  -0.359809D+01  0.327982D-01  0.746456D+00  0.332569D+00 -0.492313D+00
      2   0.327982D-01  0.232640D+00  0.127891D+01 -0.492313D+00  0.544977D+00
      3   0.746456D+00  0.127891D+01 -0.217878D+00 -0.101649D+00 -0.341407D+00
               171           172           173           174           175 
      1  -0.101649D+00  0.105875D+02  0.929633D+00 -0.249556D+01  0.294233D+01
      2  -0.341407D+00  0.929633D+00  0.142292D+00 -0.176507D+00  0.214533D-01
      3   0.663062D+01 -0.249556D+01 -0.176507D+00  0.283993D+01 -0.888682D+00
               176           177           178           179           180 
      1   0.214533D-01 -0.888682D+00 -0.478858D+01 -0.383142D+00  0.195453D+01
      2   0.114610D+00  0.578287D+00 -0.383142D+00  0.104115D+01  0.326384D+00
      3   0.578287D+00  0.908166D+00  0.195453D+01  0.326384D+00  0.421844D+00
               181           182           183           184           185 
      1   0.121894D+02  0.123121D+01  0.784710D+00  0.691427D+01  0.112510D+01
      2   0.123121D+01  0.111519D+02  0.852971D+00  0.112510D+01 -0.470803D+01
      3   0.784710D+00  0.852971D+00  0.249063D+01 -0.128448D+00 -0.126765D+01
               186           187           188           189           190 
      1  -0.128448D+00  0.144956D+01 -0.938777D+00  0.484597D+01  0.342303D+02
      2  -0.126765D+01 -0.938777D+00 -0.659433D+00  0.303431D+01  0.252461D+01
      3   0.106256D+01  0.484597D+01  0.303431D+01  0.272466D+01  0.264895D+01
               191           192           193           194           195 
      1   0.252461D+01  0.264895D+01  0.163243D+02  0.190815D+00  0.312755D+00
      2   0.592293D+01  0.547712D+00  0.190815D+00  0.131557D+02  0.152432D+01
      3   0.547712D+00  0.411818D+01  0.312755D+00  0.152432D+01  0.616868D+00
               196           197           198           199           200 
      1   0.533377D+01 -0.963075D+00  0.693333D+01 -0.364852D+02 -0.507192D+01
      2  -0.963075D+00  0.271966D+01  0.116102D+01 -0.507192D+01 -0.750141D+01
      3   0.693333D+01  0.116102D+01  0.229841D+01 -0.408909D+01 -0.989582D+00
               201           202           203           204           205 
      1  -0.408909D+01 -0.196868D+02 -0.331383D+00 -0.178696D+01 -0.801554D+01
      2  -0.989582D+00 -0.331383D+00 -0.595579D+01  0.179765D+00 -0.286643D+00
      3  -0.357540D+00 -0.178696D+01  0.179765D+00 -0.270551D+01 -0.481311D+00
               206           207           208           209           210 
      1  -0.286643D+00 -0.481311D+00 -0.597595D+01  0.102444D+01 -0.551487D+00
      2  -0.672085D+00 -0.366360D+01  0.102444D+01 -0.227875D+01 -0.327345D+00
      3  -0.366360D+01 -0.180263D+01 -0.551487D+00 -0.327345D+00 -0.732677D+00
               211           212           213           214           215 
      1   0.139046D+01  0.159320D+01  0.611520D+00 -0.432407D+00  0.297470D+00
      2   0.159320D+01  0.193787D+01  0.650358D+00  0.297470D+00 -0.686100D-01
      3   0.611520D+00  0.650358D+00 -0.839574D+00  0.335567D+00  0.434209D+00
               216           217           218           219           220 
      1   0.335567D+00 -0.164964D+01 -0.207380D+01 -0.693411D+00 -0.372691D+01
      2   0.434209D+00 -0.207380D+01  0.307888D+01 -0.502932D+00  0.597006D-01
      3  -0.127490D-01 -0.693411D+00 -0.502932D+00  0.151035D+01 -0.101926D+01
               221           222           223           224           225 
      1   0.597006D-01 -0.101926D+01 -0.639029D+00 -0.572931D+00 -0.136218D+01
      2  -0.644387D+00 -0.182872D+01 -0.572931D+00 -0.118865D+01  0.360383D+01
      3  -0.182872D+01  0.518203D+01 -0.136218D+01  0.360383D+01  0.240002D+01
               226           227           228           229           230 
      1  -0.106413D+01  0.150341D+01  0.122432D+00  0.509974D+00 -0.150974D+01
      2   0.150341D+01 -0.288742D+01 -0.268069D+00 -0.150974D+01  0.940496D+01
      3   0.122432D+00 -0.268069D+00 -0.244530D+00 -0.320569D+00  0.119891D+01
               231           232           233           234           235 
      1  -0.320569D+00 -0.750348D-01 -0.164667D+00  0.190407D+00  0.577500D+01
      2   0.119891D+01 -0.164667D+00  0.130990D+01  0.334443D+00  0.399876D+01
      3   0.955364D+00  0.190407D+00  0.334443D+00  0.231785D+00  0.132884D+01
               236           237           238           239           240 
      1   0.399876D+01  0.132884D+01  0.458806D+01  0.494653D+01  0.135621D+01
      2   0.375183D+01  0.981728D+00  0.494653D+01  0.648610D+01  0.152419D+01
      3   0.981728D+00  0.846507D+00  0.135621D+01  0.152419D+01  0.115748D+01
               241           242           243           244           245 
      1   0.164575D+01  0.142715D+01 -0.191800D-01  0.146507D+01 -0.221769D+01
      2   0.142715D+01  0.155942D+01  0.550986D+00 -0.221769D+01  0.140470D+01
      3  -0.191800D-01  0.550986D+00  0.261505D+00 -0.245661D+00 -0.282315D-01
               246           247           248           249           250 
      1  -0.245661D+00 -0.352539D+01  0.319044D+01  0.270193D+00 -0.491993D+00
      2  -0.282315D-01  0.319044D+01 -0.591543D+01 -0.668200D+00  0.292375D+00
      3   0.809676D-01  0.270193D+00 -0.668200D+00 -0.614800D+00  0.365036D-01
               251           252           253           254           255 
      1   0.292375D+00  0.365036D-01  0.155386D+02 -0.477813D+00  0.142194D+01
      2  -0.966271D+00  0.447706D-02 -0.477813D+00  0.934440D+00 -0.459922D-01
      3   0.447706D-02 -0.543381D-01  0.142194D+01 -0.459922D-01  0.128357D+01
               256           257           258           259           260 
      1   0.206108D+01  0.106514D+01  0.174327D+00  0.195405D+01 -0.748155D-01
      2   0.106514D+01  0.386943D+00  0.259858D+00 -0.748155D-01  0.309392D+00
      3   0.174327D+00  0.259858D+00  0.432924D-01  0.163144D+01 -0.338098D+00
               261           262           263           264           265 
      1   0.163144D+01  0.131564D+00  0.229280D+00 -0.779007D+00 -0.536918D+00
      2  -0.338098D+00  0.229280D+00 -0.166336D+00  0.227103D+00  0.127060D+01
      3   0.374164D+00 -0.779007D+00  0.227103D+00 -0.544578D+00  0.106303D+01
               266           267           268           269           270 
      1   0.127060D+01  0.106303D+01 -0.411494D+01  0.191810D+01  0.266882D+01
      2  -0.161369D+01 -0.134823D+01  0.191810D+01 -0.179786D+01 -0.220533D+01
      3  -0.134823D+01 -0.208576D+01  0.266882D+01 -0.220533D+01 -0.573184D+01
               271           272           273           274           275 
      1  -0.114552D+01  0.408822D+00  0.514031D+00 -0.122534D+01  0.171674D+01
      2   0.408822D+00 -0.863949D+00  0.658110D+00  0.171674D+01 -0.377894D+01
      3   0.514031D+00  0.658110D+00 -0.125976D+01 -0.796033D+00  0.256417D+01
               276           277           278           279 
      1  -0.796033D+00  0.262169D+01 -0.135552D+01  0.144842D+01
      2   0.256417D+01 -0.135552D+01  0.259153D+01 -0.268475D+01
      3  -0.273633D+01  0.144842D+01 -0.268475D+01  0.353954D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.392575D+01 -0.342013D+01  0.737555D+00 -0.755971D+01 -0.663353D+01
      2  -0.799085D+01 -0.389872D+01 -0.158713D+01  0.113983D+02  0.281164D+00
      3  -0.287044D+02  0.224500D+02  0.688114D+00  0.376273D+02  0.193610D+02
                 6             7             8             9            10 
      1  -0.177910D+01  0.351574D+01  0.613579D+01  0.125119D+01 -0.118303D+01
      2  -0.754689D+00 -0.175521D+02 -0.275615D+01 -0.273580D+01  0.203417D+02
      3   0.608147D+01  0.183626D+01  0.720603D+01 -0.241571D+00 -0.214867D+01
                11            12            13            14            15 
      1  -0.592747D+01 -0.815254D+00 -0.457758D+01 -0.215317D+01  0.483794D+00
      2  -0.101708D+01 -0.450251D+01 -0.179582D+02 -0.564096D+01 -0.254117D+01
      3   0.281834D+02  0.301847D+01  0.441507D+02  0.247926D+02  0.867787D+01
                16            17            18            19            20 
      1   0.358446D+01  0.704293D+01  0.229761D+01 -0.535549D+01  0.711616D+00
      2  -0.218461D+02 -0.356661D+01 -0.313080D+01  0.147643D+02  0.642875D+01
      3   0.491263D+01  0.867437D+01  0.274149D+01  0.310222D+02 -0.183874D+02
                21            22            23            24            25 
      1  -0.717753D+00 -0.734714D+00 -0.333259D+01 -0.287807D+01  0.700629D+01
      2   0.106872D+01  0.134353D+02  0.221774D+01 -0.103592D+01 -0.149098D+02
      3   0.587114D+00  0.994535D+01  0.212162D+01  0.423614D+00 -0.339124D+00
                26            27            28            29            30 
      1   0.256380D+01 -0.220941D+01 -0.829660D-01 -0.118317D+01 -0.300901D+00
      2  -0.660377D+01 -0.288194D+01 -0.258331D+02 -0.433613D+01  0.642039D+00
      3  -0.397836D+01  0.203601D+01 -0.567903D+01  0.621043D+01  0.964584D+00
                31            32            33            34            35 
      1  -0.602511D+01  0.294535D+01  0.316812D+01 -0.210828D+01  0.140166D+02
      2  -0.626777D+01  0.201585D+01  0.466694D+00 -0.148788D+02 -0.219158D+00
      3   0.215053D+02 -0.397306D+01 -0.419988D+01  0.151320D+01  0.229952D+00
                36            37            38            39            40 
      1   0.359136D+01 -0.124150D+01  0.539080D+01 -0.420118D+01  0.422268D+01
      2  -0.721076D+00 -0.187731D+01  0.305816D+00  0.195067D+01 -0.424720D+01
      3  -0.195718D+01  0.200198D+02 -0.412022D+01 -0.119501D+01  0.221144D+01
                41            42            43            44            45 
      1  -0.366155D+01 -0.224917D+01 -0.148375D+02  0.455910D+01 -0.110558D+01
      2  -0.456211D+01  0.100562D+01 -0.109916D+02  0.668121D+01 -0.501053D+00
      3   0.822231D+01  0.359296D+01 -0.283714D+00  0.237464D+01  0.540269D+01
                46            47            48            49            50 
      1   0.235418D+01 -0.767287D+00  0.465536D+01  0.790354D+00  0.414991D+01
      2   0.826983D+01  0.290939D+01  0.206856D+01  0.296000D+01  0.285284D+01
      3  -0.328453D+02 -0.239228D+02 -0.495174D+01 -0.792882D+01 -0.213273D+02
                51            52            53            54            55 
      1  -0.298120D+01  0.102923D+02 -0.227071D+01  0.270988D+01  0.226985D+01
      2   0.136093D+01 -0.156566D+02  0.303961D+00  0.240248D+00  0.449758D+01
      3  -0.381565D+01 -0.735233D+01 -0.590290D+01 -0.726186D+01 -0.251237D+02
                56            57            58            59            60 
      1   0.366786D+01  0.711524D+01 -0.129938D+01  0.373605D+01 -0.284363D+01
      2   0.400273D+00 -0.532406D+01  0.362097D+01  0.248637D+01  0.378781D+01
      3  -0.107279D+02 -0.273251D+01 -0.275671D+00 -0.214798D+02 -0.921603D+00
                61            62            63            64            65 
      1   0.953195D+01 -0.172405D+01  0.144088D+01  0.680705D+00 -0.863061D+00
      2  -0.211566D+02  0.464206D+01  0.248148D+00  0.116465D+01  0.661893D-01
      3  -0.433587D+01 -0.236493D+01 -0.133062D+02 -0.450303D+01  0.204313D+01
                66            67            68            69            70 
      1   0.116472D+01  0.230146D+00 -0.147314D+01 -0.345914D+01  0.544498D+00
      2   0.319583D+00  0.486743D+00 -0.101182D+01 -0.154192D+01 -0.213316D+01
      3  -0.929439D+00  0.596714D+01  0.367189D+01  0.864368D+00 -0.682723D+00
                71            72            73            74            75 
      1   0.165861D+01  0.175618D+00  0.311996D+00  0.121280D+01 -0.195678D+01
      2   0.776781D+00 -0.834541D-02 -0.341860D+01 -0.125141D+01  0.115228D+01
      3   0.109552D+01 -0.923696D+00  0.724322D+01  0.450593D-01  0.721253D+00
                76            77            78            79            80 
      1   0.124837D+01  0.257022D+01 -0.277666D+01  0.298797D+01  0.206290D+01
      2  -0.165132D+01 -0.125871D+01  0.196494D+01 -0.312405D+01 -0.387770D+00
      3   0.206101D+01 -0.235648D+01 -0.806556D-02  0.155179D+01 -0.328904D+00
                81            82            83            84            85 
      1   0.130371D+00  0.131812D+01 -0.175857D+01  0.133627D+01 -0.575821D+00
      2   0.722643D+00  0.148303D+01 -0.123004D+01  0.776334D+00 -0.112892D+01
      3  -0.936198D+00 -0.582352D+01  0.258891D+01  0.152852D+00  0.554672D+01
                86            87            88            89            90 
      1   0.380215D+01 -0.380689D+01 -0.132708D+01  0.270053D+01 -0.438208D+00
      2   0.183343D+01 -0.932392D+00 -0.664646D+00 -0.575089D+00 -0.455284D+00
      3  -0.344833D+01 -0.101066D+01 -0.272374D+00 -0.836880D+00  0.871298D+00
                91            92            93            94            95 
      1  -0.853845D+00 -0.158712D+01  0.426069D+00  0.134343D+01  0.481137D+00
      2   0.197476D+02  0.391388D+01 -0.939722D+01  0.313683D+01 -0.732561D+01
      3   0.522618D+01  0.320811D+00 -0.121778D+01  0.180184D+02 -0.718496D+01
                96            97            98            99           100 
      1  -0.288213D+01  0.144195D+00  0.369471D+01 -0.374372D+01 -0.204386D+01
      2  -0.377061D+01 -0.367807D+02 -0.846759D+01  0.444310D+01  0.203290D+01
      3   0.119927D+02 -0.282133D+01  0.107420D+02  0.813218D+01  0.150264D+02
               101           102           103           104           105 
      1   0.300737D+01  0.245767D+01  0.105395D+01  0.300653D+01  0.626532D+01
      2  -0.493234D+01  0.160692D+02 -0.167943D+01  0.792004D+01  0.838519D+01
      3  -0.165071D+02  0.870517D+01 -0.101306D+02  0.496484D+00 -0.126177D+02
               106           107           108           109           110 
      1  -0.748318D+00  0.101992D+02 -0.153237D+00  0.478264D+01  0.173895D+01
      2   0.737910D+01  0.125830D+02 -0.125000D+02 -0.197436D+02 -0.429002D+01
      3   0.660280D+01 -0.821117D+01 -0.164505D+02 -0.201387D+01  0.137630D+02
               111           112           113           114           115 
      1   0.524366D+01  0.112690D+02  0.546903D+01 -0.156665D+02  0.361602D+01
      2   0.319521D+01 -0.173968D+01 -0.861988D+00 -0.351617D+01  0.194754D+02
      3   0.118806D+01  0.124420D+02  0.107503D+02 -0.230874D+01  0.455084D+01
               116           117           118           119           120 
      1  -0.387321D+01 -0.239887D+01  0.571227D+00  0.122353D+01  0.211419D+00
      2  -0.139024D+00 -0.704379D+00  0.326824D+01  0.543470D+00  0.553619D+01
      3  -0.300355D+01 -0.225088D+01 -0.675623D+01 -0.569588D+01 -0.165030D+01
               121           122           123           124           125 
      1   0.275317D+00  0.221589D+01  0.228892D+00 -0.522382D-04  0.274416D+01
      2  -0.101028D+01  0.515819D+01  0.642117D+01  0.482857D+01  0.532403D+01
      3  -0.265224D+01 -0.872953D+01 -0.712456D+01 -0.122409D+01 -0.830582D+01
               126           127           128           129           130 
      1   0.802941D+00  0.891200D+00 -0.146194D+01 -0.228876D+01 -0.208033D+00
      2   0.996001D+01  0.699490D+01  0.358264D+01 -0.917052D+01  0.745089D+00
      3  -0.692055D+01  0.363588D+01  0.523699D+01 -0.615179D+01  0.328011D+01
               131           132           133           134           135 
      1  -0.429801D+00 -0.247520D+01 -0.146211D+01  0.133127D+01  0.617373D+01
      2   0.454370D+01 -0.661954D+01 -0.594569D+01 -0.939805D+01  0.243073D+02
      3   0.568665D+01 -0.529563D+01 -0.306001D+01 -0.736827D+01  0.127772D+02
               136           137           138           139           140 
      1  -0.205354D+01 -0.737621D+00 -0.164827D+01  0.144277D-01 -0.722669D+01
      2  -0.272401D+01  0.818362D+00 -0.170808D+01  0.870520D+00 -0.627895D+01
      3   0.527144D+01  0.333094D+01  0.154675D+01  0.282001D+01  0.167733D+02
               141           142           143           144           145 
      1  -0.722522D+01 -0.143729D+00 -0.486929D+01 -0.706599D+01  0.523621D+00
      2  -0.657767D+01 -0.143848D+01 -0.641855D+01 -0.710578D+01 -0.638968D+01
      3   0.724310D+01  0.170106D+01  0.116018D+02  0.865768D+01 -0.850127D+01
               146           147           148           149           150 
      1   0.169453D+01  0.185602D+01  0.100311D+01 -0.224750D+00 -0.118702D+01
      2   0.112855D+00  0.600421D+01  0.642771D+00 -0.167716D+01 -0.284591D+00
      3  -0.642360D+01 -0.497697D+00 -0.141773D+01 -0.344504D+00  0.130765D+01
               151           152           153           154           155 
      1   0.119288D+01 -0.274877D+00  0.322016D+00 -0.345820D+01 -0.151470D+01
      2   0.255564D+01 -0.160590D+01  0.245632D+01  0.913768D+01  0.341338D+00
      3  -0.142183D+01  0.770940D+00  0.600067D+00 -0.567588D+01 -0.241920D+02
               156           157           158           159           160 
      1  -0.540354D+01 -0.813500D+01 -0.340944D+01  0.174407D+00 -0.286054D+01
      2   0.214291D+02 -0.194551D+01  0.123812D+01  0.599342D+01  0.778352D+01
      3   0.105583D+01 -0.164148D+02 -0.150422D+02  0.157360D+01  0.374139D+00
               161           162           163           164           165 
      1   0.258543D+01  0.346009D+00 -0.585104D+01 -0.235486D+01  0.620810D+00
      2   0.389410D+01 -0.135561D+01  0.867538D+01  0.383214D+01  0.794979D+00
      3   0.212077D+01 -0.217324D+01 -0.551526D+01 -0.325937D+01 -0.210211D+00
               166           167           168           169           170 
      1  -0.525672D+01 -0.544145D+00  0.458056D+01  0.168276D+01  0.751742D+01
      2   0.389595D+01 -0.526979D+01  0.129390D+01 -0.999090D+01  0.921683D+00
      3   0.112111D+01 -0.167503D+00  0.595492D+01 -0.180338D+01  0.254017D+01
               171           172           173           174           175 
      1   0.299924D+01  0.686543D+01  0.226651D+01 -0.144678D+01  0.629664D+01
      2  -0.220426D+02 -0.201984D+02 -0.250855D+01 -0.539253D+01 -0.446918D+01
      3  -0.589314D+00  0.315217D+01  0.175323D+01 -0.108632D+01  0.519780D+01
               176           177           178           179           180 
      1   0.827866D+00 -0.272964D+01 -0.149619D+01 -0.112649D+01  0.657594D+00
      2  -0.241038D+01 -0.163855D+01 -0.435354D+00  0.355715D+00 -0.181920D+01
      3   0.189037D+00  0.428692D+00 -0.160491D+01 -0.850213D+00  0.597048D+00
               181           182           183           184           185 
      1  -0.284586D+00 -0.120751D+01 -0.671276D+01  0.350317D+01 -0.241210D+01
      2  -0.138067D+01  0.111853D+01  0.751097D+01  0.261999D+01 -0.782313D+01
      3   0.225458D+02 -0.145357D+02  0.254651D+00 -0.477722D+01  0.258767D+02
               186           187           188           189           190 
      1  -0.185598D+01 -0.156769D+02  0.476767D+01 -0.318136D+01 -0.174921D+01
      2   0.207548D+01  0.355007D+00  0.105871D+02  0.485685D+01  0.951902D+01
      3   0.459909D+01 -0.255113D+00  0.518662D+01  0.219642D+01  0.890131D+01
               191           192           193           194           195 
      1  -0.596313D+01 -0.158680D+01 -0.673460D+01 -0.465080D+01  0.330212D+01
      2  -0.336531D+01  0.295126D+01 -0.251270D+01  0.509124D+01  0.131907D+01
      3   0.188918D+02  0.482277D+01  0.460739D+02 -0.227911D+02  0.152989D+01
               196           197           198           199           200 
      1   0.107665D+01  0.126371D+02  0.311135D+01 -0.439636D-01  0.417522D+01
      2   0.227492D+01  0.278276D+01  0.374903D+01 -0.140077D+02  0.131227D+01
      3   0.103321D+02  0.107182D+01 -0.401424D+00  0.739106D+01 -0.176632D+02
               201           202           203           204           205 
      1   0.537519D+00  0.113389D+01  0.203489D+01 -0.340908D+01  0.338282D+01
      2   0.255245D+01 -0.101394D+01  0.272755D+01 -0.562830D+01 -0.204692D+02
      3  -0.227965D+01 -0.979156D+01  0.132965D+01 -0.365510D+01 -0.468945D+01
               206           207           208           209           210 
      1   0.379932D+01  0.663220D+00  0.184035D+01  0.542396D+01  0.160948D+01
      2  -0.128932D+02 -0.636346D+01  0.663991D+00  0.471831D+01  0.105309D+02
      3  -0.536428D+01  0.563479D+01 -0.157653D+02 -0.364266D+02 -0.629100D+01
               211           212           213           214           215 
      1   0.661898D+00  0.152235D+01 -0.620737D+01 -0.292492D+01  0.110239D+00
      2   0.175964D+01  0.229862D+01 -0.697235D+01 -0.476208D+01  0.479193D+01
      3   0.207221D+01 -0.699019D+01 -0.255350D+01 -0.281402D+01 -0.499167D+01
               216           217           218           219           220 
      1  -0.138081D+01 -0.238720D+01 -0.124696D+01  0.158455D+01  0.968644D+00
      2   0.512645D+00 -0.681459D+01 -0.333657D+01  0.763261D+01 -0.383220D+01
      3  -0.262377D+01  0.320511D+02 -0.112617D+02  0.735442D+01 -0.303975D+01
               221           222           223           224           225 
      1  -0.819687D+00  0.791400D+01 -0.102732D+02  0.881961D+01  0.462997D+01
      2  -0.707503D+01  0.314310D+02 -0.702172D+01  0.207029D+02  0.150731D+02
      3  -0.171186D+02  0.856586D+01  0.495192D+01  0.606925D+01 -0.261635D+02
               226           227           228           229           230 
      1   0.478721D+00 -0.578810D+00  0.159441D+01  0.382381D+00  0.631802D-01
      2   0.106941D+01 -0.922236D+00  0.319526D+00 -0.113399D+01  0.314084D+01
      3  -0.820773D+01  0.738426D+01  0.434376D+00  0.683696D+01 -0.199541D+02
               231           232           233           234           235 
      1  -0.450270D+01 -0.102224D+01  0.208326D+01 -0.555033D+00 -0.132403D+01
      2   0.591559D+00  0.311755D-01  0.384174D+00  0.818009D-01  0.181498D+01
      3  -0.309267D+01  0.891329D-01 -0.257249D+01  0.282079D+00  0.362157D+00
               236           237           238           239           240 
      1  -0.141026D+00 -0.254980D+01 -0.880153D+00  0.754905D-01 -0.356478D+01
      2   0.171669D+01  0.350725D+01  0.264298D+01  0.317505D+01  0.461213D+01
      3  -0.592193D+01 -0.572541D+00 -0.582179D+01 -0.134339D+02 -0.246121D+01
               241           242           243           244           245 
      1   0.263952D+01  0.118496D+01 -0.270195D+00  0.285267D+00 -0.486707D+00
      2  -0.262117D+01  0.155097D+01  0.115022D+01  0.193992D+00 -0.581631D+00
      3  -0.968959D+00 -0.253737D+01 -0.190975D+01  0.252983D+01 -0.240188D+01
               246           247           248           249           250 
      1   0.755755D+00 -0.634507D+00  0.321853D+00 -0.301157D+01  0.271110D+00
      2   0.426685D+00 -0.557435D+00 -0.147723D+01 -0.227836D+01 -0.171614D+01
      3   0.845872D-01 -0.633272D+00  0.146776D+02  0.212849D+01 -0.420119D-01
               251           252           253           254           255 
      1   0.153259D+01 -0.895316D-01  0.138225D+01  0.610281D+00  0.132035D+01
      2   0.103278D+01 -0.995992D-01  0.516090D+01  0.401561D-01  0.972948D+01
      3   0.295303D+01 -0.382297D+00 -0.121576D+02 -0.874651D+01 -0.146398D+01
               256           257           258           259           260 
      1   0.244953D+00  0.455817D+00 -0.671809D+00  0.173762D+01  0.529751D-01
      2   0.527322D+00  0.124947D+01  0.242044D+00  0.742845D+01 -0.175658D+01
      3  -0.601292D+01 -0.337424D+01 -0.168636D+01 -0.143889D+01 -0.231469D+01
               261           262           263           264           265 
      1   0.105411D+00 -0.641928D+00  0.144771D+00 -0.121569D+01  0.794321D+00
      2   0.188225D+01 -0.605003D+01  0.116853D+01 -0.259471D+01  0.529925D+01
      3   0.131036D+01 -0.432527D+00  0.272906D+01  0.380889D+00 -0.413805D+01
               266           267           268           269           270 
      1  -0.178232D+01 -0.405741D+01  0.400107D+01 -0.106385D+01 -0.940941D+01
      2  -0.766665D+01 -0.122050D+02  0.941132D+01 -0.128336D+02 -0.324479D+02
      3   0.123448D+02  0.859909D+01 -0.647954D+01  0.125237D+02  0.158984D+02
               271           272           273           274           275 
      1   0.730822D-01 -0.681207D-01 -0.238258D+01 -0.517522D+00  0.802274D+00
      2   0.533057D+01  0.261417D+01 -0.594240D+01 -0.289389D+01  0.121093D+02
      3   0.128260D+01  0.752754D+01 -0.500187D+01 -0.464229D+01  0.256129D+02
               276           277           278           279 
      1  -0.444598D+01  0.186542D+01 -0.862377D+00  0.486493D+01
      2  -0.146538D+02  0.337095D+01 -0.138851D+02  0.174851D+02
      3  -0.151079D+02  0.347385D+01 -0.162292D+02  0.173542D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713288D+02 -0.308035D+02 -0.102600D+02  0.809913D+02  0.161791D+01
      2   0.373355D+02  0.189579D+02  0.790617D+01 -0.361532D+02  0.979816D+01
      3   0.339933D+02  0.118456D+02  0.235381D+01 -0.448381D+02 -0.114161D+02
      4  -0.746630D+01  0.149572D+02  0.326946D+01  0.115374D+02  0.224427D+02
      5  -0.929576D+01  0.118913D+01 -0.334669D+01  0.300289D+00  0.193144D+01
      6  -0.152068D+01  0.415272D+01 -0.700003D+00 -0.199596D+01 -0.784070D-01
                 6             7             8             9            10 
      1   0.105934D+02  0.519411D+01 -0.147863D+01 -0.879130D+01  0.862510D+02
      2  -0.194133D+01  0.553882D-01  0.338008D+01 -0.965700D-01 -0.339240D+02
      3  -0.865208D+01 -0.524950D+01 -0.190145D+01  0.888787D+01 -0.523271D+02
      4   0.549350D+01  0.129615D+01  0.436077D+01  0.274375D+01 -0.258777D+02
      5  -0.324951D+01 -0.526178D+00  0.169228D+01 -0.328554D+01  0.454278D+01
      6  -0.371569D+00 -0.303882D+01  0.501117D+01 -0.249716D+01 -0.286694D+00
                11            12            13            14            15 
      1  -0.157026D+02  0.773779D+01 -0.817928D+02 -0.282719D+02 -0.121797D+02
      2   0.122001D+02 -0.594929D+00  0.315143D+02  0.173883D+02  0.810305D+01
      3   0.350243D+01 -0.714286D+01  0.502786D+02  0.108835D+02  0.407665D+01
      4   0.120638D+02  0.235951D+01 -0.302112D+02 -0.178727D+02 -0.465897D+01
      5   0.372316D+01 -0.106257D+02 -0.366280D+01 -0.524054D+00  0.114069D+01
      6   0.851329D+00  0.106895D+00 -0.148446D+01  0.468898D+01 -0.120038D+01
                16            17            18            19            20 
      1  -0.367096D+01 -0.530887D+01 -0.710427D+01  0.369322D+02  0.389478D+02
      2   0.375395D+01  0.296774D+01 -0.150784D+01 -0.187861D+02 -0.258306D+02
      3  -0.829901D-01  0.234113D+01  0.861211D+01 -0.181461D+02 -0.131172D+02
      4  -0.836630D+01 -0.134281D+01 -0.501302D+01  0.136409D+02 -0.191872D+02
      5   0.202071D+01 -0.278902D+01 -0.446889D+01  0.715979D+01  0.184549D+01
      6  -0.283944D+01  0.501170D+01 -0.151512D+01  0.309097D+01 -0.885471D+01
                21            22            23            24            25 
      1   0.137588D+02 -0.139515D+02  0.195922D+02  0.971462D+01  0.225144D+01
      2  -0.775124D+01  0.208467D+02 -0.219762D+02 -0.565429D+01  0.502959D+01
      3  -0.600757D+01 -0.689515D+01  0.238404D+01 -0.406033D+01 -0.728102D+01
      4  -0.716235D+00  0.112490D+02 -0.167018D+01  0.199421D+01  0.792846D+01
      5  -0.113137D-01  0.461133D+01  0.274260D+01 -0.485702D+01  0.907454D+01
      6  -0.109775D+01  0.662951D+01 -0.101005D+02  0.489728D+01  0.809003D+00
                26            27            28            29            30 
      1   0.170079D+02 -0.446767D+01  0.225803D+02  0.625917D+01 -0.777754D+01
      2  -0.107415D+02 -0.449339D+01 -0.279166D+02 -0.243114D+01  0.250975D+01
      3  -0.626642D+01  0.896106D+01  0.533623D+01 -0.382804D+01  0.526778D+01
      4   0.574923D+00 -0.471102D+01  0.116256D+02  0.123721D+02  0.186163D+01
      5  -0.762357D+01 -0.493275D+01 -0.597624D+01  0.224811D+01  0.660999D+01
      6   0.817902D+01 -0.366581D+01 -0.523965D+01  0.341323D+01  0.130220D+01
                31            32            33            34            35 
      1  -0.212212D+02 -0.539924D+02 -0.123571D+02 -0.136586D+02 -0.120286D+02
      2   0.141316D+02  0.443342D+02  0.135778D+02 -0.132771D+01  0.878642D+01
      3   0.708956D+01  0.965823D+01 -0.122065D+01  0.149863D+02  0.324215D+01
      4  -0.350747D+02  0.160570D+02  0.427132D+01 -0.110134D+02  0.565458D+01
      5  -0.142356D+02  0.416544D+00 -0.445289D+00  0.205569D+02  0.483165D+01
      6  -0.401813D+01  0.149771D+02 -0.576187D-01 -0.118065D+01  0.722880D+01
                36            37            38            39            40 
      1  -0.787315D+01 -0.124515D+02 -0.639888D+02 -0.142224D+02  0.275563D+02
      2  -0.599850D+01  0.587338D+01  0.456265D+02  0.436007D+01 -0.251117D+02
      3   0.138716D+02  0.657816D+01  0.183623D+02  0.986230D+01 -0.244454D+01
      4   0.192471D+01 -0.248648D+02  0.113457D+01 -0.488392D+01  0.218077D+02
      5   0.331427D+01 -0.751514D+00 -0.791512D+01  0.139504D+01  0.113458D+01
      6  -0.173722D+01 -0.638403D+01  0.869727D+01  0.106751D+02 -0.566861D+01
                41            42            43            44            45 
      1   0.309748D+02  0.725177D+01 -0.163949D+01 -0.579631D+01 -0.177676D+02
      2  -0.271727D+02 -0.832548D+01 -0.117755D+02 -0.384030D+01 -0.136718D+01
      3  -0.380212D+01  0.107371D+01  0.134150D+02  0.963661D+01  0.191348D+02
      4  -0.206733D+02 -0.616961D+01 -0.929177D+01 -0.756694D+01  0.479416D+01
      5  -0.419890D+01  0.516995D+01  0.130569D+02  0.443938D+01  0.626736D+01
      6  -0.125941D+02 -0.397032D+00  0.147849D+02  0.105835D+02  0.793641D+01
                46            47            48            49            50 
      1   0.182414D+02  0.531230D+02  0.170167D+02 -0.132030D+02  0.717611D+01
      2  -0.120120D+02 -0.341336D+02 -0.481315D+01  0.120991D+02 -0.121756D+02
      3  -0.622941D+01 -0.189894D+02 -0.122035D+02  0.110387D+01  0.499949D+01
      4   0.268844D+02 -0.129236D+02  0.383463D+00  0.170599D+02  0.105897D+02
      5  -0.512290D+01 -0.183646D+00  0.127842D+01 -0.542326D+00  0.187032D+01
      6   0.207116D+01 -0.119258D+02 -0.113321D+02  0.471829D+01 -0.771687D+01
                51            52            53            54            55 
      1   0.361510D+01  0.250978D+01  0.102820D+02 -0.197152D+02 -0.235391D+02
      2  -0.648048D+01  0.213524D+01 -0.179547D+02  0.625585D+01  0.476677D+01
      3   0.286538D+01 -0.464502D+01  0.767265D+01  0.134594D+02  0.187723D+02
      4   0.381451D+01  0.634236D+01 -0.150339D+01 -0.323669D+01 -0.117883D+02
      5   0.253942D+00  0.450949D+01 -0.124143D+01 -0.468971D+01  0.415206D+01
      6   0.607003D+01 -0.467571D+01  0.172381D+02  0.532049D+01  0.201218D+01
                56            57            58            59            60 
      1   0.384541D+02  0.804633D+01 -0.579040D+01  0.144771D+02  0.626278D+01
      2  -0.320924D+02 -0.283758D+01  0.638057D+01 -0.171927D+02 -0.699530D+01
      3  -0.636170D+01 -0.520875D+01 -0.590169D+00  0.271569D+01  0.732521D+00
      4  -0.551057D+02 -0.852184D+01  0.140589D+02  0.906701D+01 -0.741917D+00
      5  -0.433825D+01 -0.985077D+01  0.454647D+01 -0.968552D+00  0.518620D+01
      6  -0.609956D+01 -0.125498D+02  0.347833D+01 -0.832601D+01  0.728659D+01
                61            62            63            64            65 
      1  -0.120275D+01  0.113764D+02 -0.259862D+02  0.563674D+01 -0.389439D+00
      2   0.162728D+01 -0.163743D+02  0.113889D+02 -0.313702D+00 -0.208121D+01
      3  -0.424531D+00  0.499792D+01  0.145972D+02 -0.532304D+01  0.247065D+01
      4   0.706008D+00 -0.118395D+02  0.704735D+01 -0.116743D+02  0.102219D+02
      5  -0.112315D+01  0.119342D+02 -0.867059D+00  0.457950D+01 -0.137241D+01
      6  -0.497592D+01  0.204889D+02  0.863548D+00 -0.283407D+01  0.168972D+01
                66            67            68            69            70 
      1   0.198694D+01  0.361510D+01 -0.186931D+02 -0.111015D+01  0.389550D+01
      2  -0.114832D+01 -0.828408D+01  0.258233D+02  0.915519D+00 -0.293393D+01
      3  -0.838617D+00  0.466898D+01 -0.713017D+01  0.194629D+00 -0.961576D+00
      4  -0.896975D+00  0.139802D+02 -0.191468D+02 -0.710173D+00  0.850406D-01
      5   0.180298D+01 -0.742844D+00 -0.590690D+00 -0.242699D+01  0.116763D+01
      6  -0.124831D+01  0.165026D+01 -0.209787D+01  0.454641D+01 -0.229366D+01
                71            72            73            74            75 
      1  -0.334522D+01 -0.216865D+01  0.118557D+01 -0.500799D+01 -0.209269D+01
      2   0.340378D+01  0.244121D+01  0.500203D+01  0.102817D+02  0.166773D+01
      3  -0.585557D-01 -0.272560D+00 -0.618760D+01 -0.527368D+01  0.424960D+00
      4  -0.210654D+01 -0.130775D+01  0.213464D+02  0.200899D+02  0.551082D+01
      5  -0.315990D+00 -0.700465D-02  0.813416D+01  0.584120D+01  0.518333D+01
      6   0.178335D+01  0.894010D+00  0.735680D+01  0.746274D+01  0.466517D+01
                76            77            78            79            80 
      1  -0.909455D+01 -0.198230D+02 -0.627120D+01 -0.607808D+00 -0.404926D+01
      2   0.153484D+02  0.285977D+02  0.536961D+01  0.391077D+01  0.526940D+01
      3  -0.625389D+01 -0.877474D+01  0.901593D+00 -0.330296D+01 -0.122014D+01
      4   0.228843D+02  0.284105D+02  0.692187D+01  0.713176D+01  0.689427D+01
      5   0.663078D+01  0.722900D+01  0.506904D+01  0.207603D+01  0.341540D+01
      6   0.993672D+01  0.141218D+02  0.876466D+01  0.130304D+01  0.519231D+01
                81            82            83            84            85 
      1  -0.165241D+01 -0.463642D+01  0.962190D+01  0.962332D+00  0.831535D+01
      2   0.219662D+01  0.769220D+01 -0.143089D+02 -0.110661D+01 -0.105414D+02
      3  -0.544210D+00 -0.305578D+01  0.468705D+01  0.144282D+00  0.222607D+01
      4   0.404743D+01 -0.746249D+01  0.144791D+02  0.201382D+01  0.961152D+01
      5   0.221261D+01 -0.248052D+01  0.357541D+01  0.261042D+01  0.256705D+01
      6   0.310619D+01  0.250148D+01 -0.343143D+01 -0.247212D+01 -0.364839D+01
                86            87            88            89            90 
      1  -0.430521D+02 -0.746952D+01  0.852661D+00 -0.640801D+01 -0.205539D+01
      2   0.566226D+02  0.690633D+01 -0.160165D+01  0.769809D+01  0.218537D+01
      3  -0.135705D+02  0.563193D+00  0.748989D+00 -0.129009D+01 -0.129979D+00
      4  -0.199527D+02 -0.307626D+01  0.153620D+01 -0.110002D+01 -0.206751D+01
      5  -0.628524D+01 -0.259454D+01  0.138746D+01 -0.237745D+01 -0.629515D+00
      6   0.153884D+02  0.921436D+01 -0.453911D-01  0.483192D+01  0.204736D+01
                91            92            93            94            95 
      1  -0.304393D+02 -0.170647D+02  0.114709D+02 -0.975511D+01 -0.392397D+01
      2   0.247250D+02  0.148444D+02 -0.610544D+01  0.110386D+02  0.292863D+01
      3   0.571424D+01  0.222023D+01 -0.536544D+01 -0.128347D+01  0.995342D+00
      4  -0.183391D+02 -0.160350D+02  0.280446D+01 -0.259212D+02  0.138927D+02
      5   0.133532D+02  0.233606D+01 -0.223718D+02 -0.507355D+00 -0.255537D+02
      6   0.118323D+01 -0.542573D+01  0.111473D+00 -0.710313D+01  0.283216D+01
                96            97            98            99           100 
      1  -0.260318D+01  0.282349D+02  0.558900D+01 -0.178040D+02 -0.642609D+02
      2   0.580156D+01 -0.202831D+02  0.637353D+00  0.123868D+02  0.378806D+02
      3  -0.319837D+01 -0.795175D+01 -0.622635D+01  0.541722D+01  0.263803D+02
      4  -0.259402D+02  0.677813D+01 -0.202046D+02 -0.147131D+02  0.192300D+02
      5  -0.625616D+01 -0.387460D+02 -0.151907D+02 -0.163409D+01 -0.291324D+02
      6  -0.935618D+01 -0.739564D+01 -0.309201D+01 -0.679311D+01  0.420211D+01
               101           102           103           104           105 
      1   0.198989D+02 -0.277824D+02 -0.191027D+01  0.100910D+02 -0.273329D+01
      2  -0.144511D+02  0.860190D+01 -0.332919D+01 -0.639884D+01 -0.145504D+02
      3  -0.544787D+01  0.191805D+02  0.523946D+01 -0.369216D+01  0.172837D+02
      4   0.176498D+02 -0.422245D+01  0.217420D+02 -0.161091D+02  0.263686D+02
      5  -0.543450D+01  0.200734D+02 -0.792348D+01  0.268069D+02  0.101997D+02
      6   0.641872D+01 -0.121568D+02  0.899260D+01 -0.118345D+02 -0.363740D+01
               106           107           108           109           110 
      1  -0.195763D+02 -0.671578D+01  0.346292D+02 -0.894575D+02 -0.178557D+02
      2   0.925599D+01 -0.112887D+02 -0.161652D+02  0.334548D+02 -0.161459D-01
      3   0.103203D+02  0.180044D+02 -0.184639D+02  0.560028D+02  0.178718D+02
      4  -0.574290D+01  0.171867D+02  0.148275D+02 -0.335860D+02 -0.253067D+02
      5   0.126459D+02  0.187595D+02 -0.114737D+02  0.140486D+02  0.667096D+01
      6  -0.665208D+01 -0.883494D+01  0.142181D+02  0.165119D+01  0.244435D+01
               111           112           113           114           115 
      1   0.836792D+01 -0.194400D+02 -0.108224D+02  0.366072D+01 -0.387739D+02
      2  -0.133627D+01  0.391697D+01  0.618164D+01 -0.458344D+00  0.288141D+02
      3  -0.703165D+01  0.155231D+02  0.464073D+01 -0.320237D+01  0.995978D+01
      4   0.470812D+01  0.479136D+01 -0.132619D+02  0.230135D+01 -0.479264D+01
      5  -0.723026D+01  0.420624D+01  0.335338D+01 -0.114541D+01  0.322739D+02
      6  -0.266637D+01  0.408105D+01  0.809635D+00  0.314167D+01  0.983015D+01
               116           117           118           119           120 
      1  -0.347028D+01  0.263999D+02  0.116884D+02  0.781658D+01  0.556819D+01
      2   0.452629D+01 -0.792940D+01 -0.908984D+01 -0.565001D+01 -0.510193D+01
      3  -0.105601D+01 -0.184705D+02 -0.259855D+01 -0.216657D+01 -0.466264D+00
      4  -0.213474D+00  0.682692D+01  0.139127D+02  0.120227D+02  0.473650D+01
      5   0.674637D+01 -0.255058D+01  0.143098D+02  0.561179D+01  0.159902D+02
      6  -0.126402D+01  0.999642D+00  0.537881D+01  0.292459D+01  0.307591D+01
               121           122           123           124           125 
      1   0.166041D+02  0.722885D+00 -0.641326D+00  0.790642D+01 -0.125868D+01
      2  -0.107227D+02 -0.298324D+00 -0.239784D+01 -0.817168D+01 -0.325262D+01
      3  -0.588143D+01 -0.424560D+00  0.303917D+01  0.265268D+00  0.451129D+01
      4   0.158686D+02  0.185421D+02  0.155440D+02  0.629594D+01  0.159954D+02
      5   0.111899D+02  0.158356D+02  0.149727D+02  0.219047D+02  0.134760D+02
      6   0.479078D+01  0.936207D+01  0.983370D+01  0.515871D+01  0.847420D+01
               126           127           128           129           130 
      1  -0.460591D+00 -0.539744D+01 -0.978145D+01  0.195178D+02 -0.204928D+01
      2  -0.972334D+01  0.129165D+00  0.582072D+01 -0.427822D+01  0.872684D+00
      3   0.101839D+02  0.526828D+01  0.396073D+01 -0.152396D+02  0.117660D+01
      4   0.135591D+02  0.539560D+00 -0.620699D+01  0.267535D+01  0.998496D+00
      5   0.280720D+02  0.413019D+01  0.468783D+01 -0.980758D+01 -0.625962D+00
      6   0.952563D+01 -0.347982D+01 -0.632906D+01  0.102256D+02 -0.133190D+01
               131           132           133           134           135 
      1  -0.116216D+02  0.107730D+02  0.128517D+02  0.136412D+02 -0.356148D+02
      2   0.724484D+01 -0.386963D+01 -0.521624D+01 -0.391976D+01 -0.869401D+00
      3   0.437680D+01 -0.690342D+01 -0.763547D+01 -0.972141D+01  0.364842D+02
      4  -0.725503D+01  0.568938D+01 -0.668601D+01  0.123019D+02 -0.144631D+02
      5   0.558160D+01 -0.101267D+02  0.533914D+01 -0.172221D+02  0.396053D+02
      6  -0.856544D+01  0.131194D+02  0.331641D+00  0.161162D+02 -0.274472D+02
               136           137           138           139           140 
      1   0.982210D+00 -0.680711D+01 -0.152135D+01 -0.721288D+01 -0.128989D+02
      2   0.165112D+01  0.574847D+01  0.235979D+01  0.180498D+01  0.261236D+02
      3  -0.263333D+01  0.105864D+01 -0.838432D+00  0.540791D+01 -0.132247D+02
      4  -0.227428D+01 -0.240239D+01  0.181940D+01  0.899703D+01 -0.285306D+02
      5  -0.270228D+01  0.181737D+00 -0.366761D+01 -0.303823D+00 -0.123757D+02
      6   0.216184D+01 -0.784554D+00  0.277579D+01 -0.390414D+00  0.380298D+01
               141           142           143           144           145 
      1  -0.395306D+01 -0.692318D+01 -0.418619D+01 -0.881660D+01  0.102498D+03
      2   0.115620D+02  0.217522D+01  0.142665D+02  0.999566D+01 -0.544249D+02
      3  -0.760896D+01  0.474796D+01 -0.100803D+02 -0.117906D+01 -0.480728D+02
      4  -0.111951D+02  0.100520D+02 -0.221348D+02 -0.105295D+02 -0.438759D+02
      5  -0.130053D+02 -0.824230D+00 -0.117540D+02 -0.149513D+02  0.393214D+02
      6   0.780134D+01  0.665668D+00  0.613837D+01  0.704558D+01 -0.872869D+01
               146           147           148           149           150 
      1  -0.153256D+02  0.154775D+02 -0.353892D+01  0.714011D+01  0.284642D-01
      2   0.468771D+01 -0.110669D+02 -0.120994D+01 -0.202192D+01  0.465683D+00
      3   0.106379D+02 -0.441055D+01  0.474885D+01 -0.511818D+01 -0.494147D+00
      4   0.206233D+02 -0.867123D+01  0.123633D+02 -0.428640D+01 -0.152626D-01
      5  -0.803709D+01  0.197428D+02 -0.281641D+00  0.134516D+01 -0.643129D+00
      6   0.473178D+01 -0.511226D+01  0.286263D+01 -0.167149D+00  0.201500D+01
               151           152           153           154           155 
      1   0.113446D+02 -0.744441D+00  0.660208D+01  0.193391D+03  0.330645D+02
      2  -0.882590D+01  0.200276D+01 -0.584661D+01 -0.885244D+02 -0.925730D+01
      3  -0.251874D+01 -0.125832D+01 -0.755467D+00 -0.104867D+03 -0.238072D+02
      4  -0.409959D+01  0.460858D+00 -0.545476D+01  0.529554D+02  0.466256D+02
      5   0.172612D+02 -0.463546D+01  0.993696D+01 -0.346476D+02 -0.920686D+01
      6  -0.354993D+01  0.286498D+01 -0.311323D+01 -0.152729D+01 -0.422468D+01
               156           157           158           159           160 
      1  -0.931026D+01  0.305206D+02  0.349372D+02 -0.277065D+00 -0.939566D+01
      2   0.931841D+01 -0.601006D+01 -0.837069D+01  0.591876D+00  0.947627D+01
      3  -0.814931D-02 -0.245105D+02 -0.265665D+02 -0.314810D+00 -0.806158D-01
      4  -0.663756D+01  0.544844D+02  0.376983D+02 -0.467207D+01 -0.566305D+01
      5   0.380215D+02 -0.569880D+01 -0.839758D+01  0.855254D+01  0.375724D+02
      6   0.349348D+01 -0.853711D+01 -0.490190D+01  0.603451D+01  0.464715D+01
               161           162           163           164           165 
      1  -0.141690D+01  0.218314D+02  0.544987D+02  0.102942D+02 -0.190164D+02
      2   0.146500D+01 -0.143077D+02 -0.361013D+02 -0.441908D+01  0.114482D+02
      3  -0.481038D-01 -0.752373D+01 -0.183974D+02 -0.587514D+01  0.756824D+01
      4  -0.234105D+01  0.915685D+01  0.160014D+02  0.759292D+01 -0.124471D+01
      5   0.917819D+01 -0.943145D+01 -0.339243D+02 -0.156429D+01  0.186757D+02
      6   0.523132D+01 -0.226028D+01 -0.585988D+01 -0.933031D+00  0.915381D+00
               166           167           168           169           170 
      1   0.161344D+02 -0.861560D+01  0.863283D+00  0.515199D+01  0.370387D+01
      2  -0.930147D+01  0.227760D+01 -0.954512D+00 -0.176969D+00 -0.222511D+01
      3  -0.683288D+01  0.633799D+01  0.912287D-01 -0.497503D+01 -0.147876D+01
      4   0.533242D+01 -0.132892D+01 -0.945547D+01  0.243626D+01 -0.465564D+01
      5  -0.652385D+01 -0.904396D+01  0.123506D+01  0.101953D+02  0.473541D+00
      6  -0.269635D+01 -0.199504D+01  0.112212D+02 -0.164438D+01  0.987679D+01
               171           172           173           174           175 
      1  -0.332352D+02 -0.512502D+02 -0.498103D+01 -0.212497D+01 -0.134303D+02
      2  -0.106159D+02  0.310443D+02  0.291505D+01 -0.714315D+01  0.956560D+01
      3   0.438512D+02  0.202059D+02  0.206598D+01  0.926812D+01  0.386473D+01
      4  -0.166742D+01 -0.113131D+02 -0.476699D+01  0.118535D+01 -0.199256D+01
      5  -0.380180D+02  0.257930D+02  0.179664D+01 -0.169614D+02  0.677965D+01
      6  -0.233834D+01  0.486648D+01  0.325812D+01 -0.141416D+01  0.181322D+01
               176           177           178           179           180 
      1  -0.474123D+01  0.141640D+00  0.119957D+02  0.196751D+01 -0.851452D+01
      2   0.293440D+01 -0.262208D+01 -0.110841D+02 -0.165444D+01  0.441822D+01
      3   0.180682D+01  0.248044D+01 -0.911655D+00 -0.313068D+00  0.409631D+01
      4  -0.770469D+00 -0.205996D+01  0.513311D+01  0.912506D+00 -0.175580D+01
      5  -0.161747D+01 -0.517681D+01 -0.100383D+02 -0.945806D+00  0.344528D+01
      6   0.125264D+01  0.218249D+01 -0.171008D+01  0.485461D+00  0.139044D+01
               181           182           183           184           185 
      1   0.335786D+02 -0.549659D+02 -0.751110D+01  0.401994D+02  0.225152D+02
      2  -0.163428D+02  0.443737D+02  0.242263D+01 -0.288294D+02 -0.226900D+02
      3  -0.172358D+02  0.105922D+02  0.508847D+01 -0.113700D+02  0.174777D+00
      4  -0.668332D+01  0.400934D+02 -0.142079D+01  0.110855D+02 -0.303560D+02
      5  -0.849893D+01 -0.366393D+01  0.122136D+02 -0.209844D+01 -0.114222D+02
      6  -0.701001D+01 -0.145229D+00  0.116324D+02 -0.718189D+01 -0.960673D+01
               186           187           188           189           190 
      1   0.547927D+01  0.517552D+01 -0.696502D+01  0.860847D+00  0.117618D+03
      2  -0.638502D+01 -0.131231D+02 -0.153227D+01 -0.827209D+01 -0.633269D+02
      3   0.905753D+00  0.794756D+01  0.849729D+01  0.741124D+01 -0.542912D+02
      4  -0.102645D+02 -0.109258D+02 -0.101580D+02  0.208969D+02  0.213205D+01
      5   0.685854D+01  0.311316D+02  0.175106D+02  0.117477D+02 -0.801112D+00
      6   0.189429D+01  0.212217D+02  0.139919D+02  0.632391D+01 -0.304429D+01
               191           192           193           194           195 
      1   0.110322D+02  0.957984D+01  0.564761D+02 -0.430032D+02 -0.638968D+01
      2   0.246683D+01 -0.238279D+01 -0.225578D+02  0.438767D+02  0.117281D+02
      3  -0.134991D+02 -0.719705D+01 -0.339183D+02 -0.873469D+00 -0.533845D+01
      4   0.157941D+02  0.113720D+01 -0.455518D+02  0.581440D+02  0.439552D+01
      5   0.223063D+01  0.847030D+01 -0.125015D+02  0.823718D+01  0.272844D+01
      6   0.804410D-01  0.297595D+01 -0.339120D+01  0.869444D+01 -0.558584D+01
               196           197           198           199           200 
      1   0.117733D+02 -0.116074D+02  0.216759D+02 -0.104663D+03  0.186028D+02
      2  -0.696863D+01  0.103017D+02 -0.189370D+02  0.427832D+02 -0.189560D+02
      3  -0.480470D+01  0.130572D+01 -0.273882D+01  0.618797D+02  0.353203D+00
      4  -0.170217D+02  0.958723D+01  0.300565D+01  0.260966D+02 -0.278742D+02
      5   0.465692D+02  0.912436D+01  0.864215D+01 -0.553575D+01 -0.242969D+01
      6   0.154328D+01  0.674861D+01 -0.310039D+01  0.225964D+01 -0.422631D+01
               201           202           203           204           205 
      1  -0.545721D+01 -0.913686D+02  0.117286D+02 -0.251461D+01 -0.275630D+02
      2   0.121189D+01  0.560470D+02 -0.195471D+02 -0.121447D+01  0.165113D+02
      3   0.424532D+01  0.353216D+02  0.781856D+01  0.372909D+01  0.110517D+02
      4  -0.613679D+00  0.234802D+02 -0.209298D+02  0.370783D+01  0.910775D+01
      5   0.610627D+01 -0.166542D+01  0.196270D+01 -0.123256D+02  0.428275D+01
      6  -0.112893D+01  0.621954D+01 -0.755664D+01  0.790346D+01 -0.146578D+01
               206           207           208           209           210 
      1   0.105235D+02 -0.139748D+02  0.226106D+02  0.675657D+01  0.254691D-01
      2  -0.102664D+02 -0.380548D+01 -0.142670D+02 -0.518730D+01 -0.216299D+01
      3  -0.257043D+00  0.177803D+02 -0.834363D+01 -0.156928D+01  0.213752D+01
      4  -0.749850D+00 -0.170374D+02  0.173105D+02  0.920236D+01 -0.234194D+00
      5  -0.214419D+02 -0.123837D+02  0.699978D+01 -0.112055D+01  0.190154D+02
      6   0.831673D+01 -0.899253D+00  0.837219D+00  0.203292D+01 -0.288696D+01
               211           212           213           214           215 
      1   0.173765D+02  0.270081D+01  0.455275D+01  0.336251D+01 -0.489512D+00
      2  -0.893347D+01 -0.572103D+00 -0.516965D+01 -0.375282D+01 -0.166734D+01
      3  -0.844307D+01 -0.212871D+01  0.616896D+00  0.390312D+00  0.215685D+01
      4   0.264929D+02  0.193648D+02  0.613035D+01  0.379371D+01  0.229862D+01
      5   0.641080D+01  0.452563D+01 -0.127693D+02  0.127413D+02  0.477731D+01
      6   0.478637D+00 -0.133302D+01  0.107607D+02  0.108608D+01  0.383151D+01
               216           217           218           219           220 
      1   0.476366D+01 -0.780583D+02 -0.932068D+01 -0.167547D+02 -0.265519D+02
      2  -0.342844D+01  0.451795D+02  0.178472D+01  0.102128D+02  0.105425D+02
      3  -0.133522D+01  0.328788D+02  0.753596D+01  0.654190D+01  0.160094D+02
      4   0.610374D+01 -0.156432D+02  0.261567D+02 -0.415711D+01  0.273529D+01
      5   0.376266D+01 -0.162301D+02 -0.445302D+01  0.103251D+02 -0.929333D+01
      6   0.291019D+01  0.724247D+00  0.329935D+01 -0.418453D+01  0.491131D+00
               221           222           223           224           225 
      1   0.215826D+02 -0.159730D+02 -0.155647D+02 -0.968195D+01  0.135067D+02
      2  -0.120318D+02  0.120810D+02  0.577016D+01  0.846348D+01 -0.107289D+02
      3  -0.955078D+01  0.389201D+01  0.979455D+01  0.121847D+01 -0.277773D+01
      4   0.164913D+01 -0.150499D+02 -0.622507D+01 -0.922769D+01  0.368552D+02
      5  -0.151371D+02  0.601458D+02 -0.130245D+02  0.377140D+02  0.296495D+02
      6   0.723490D+01 -0.216909D+02  0.908554D+01 -0.152551D+02 -0.569627D+01
               226           227           228           229           230 
      1  -0.755200D+01  0.169092D+02  0.144910D+01  0.848949D+01 -0.509476D+02
      2   0.879997D+01 -0.190794D+02 -0.148061D+01 -0.924303D+01  0.644538D+02
      3  -0.124797D+01  0.217018D+01  0.315035D-01  0.753540D+00 -0.135061D+02
      4  -0.211505D+01  0.472339D+01  0.730168D+00  0.270043D+01  0.122679D+02
      5  -0.788548D+00  0.132559D+01  0.126708D+01  0.301200D+00 -0.681062D+00
      6   0.756071D+00 -0.120648D+01 -0.233975D+01 -0.156323D+01  0.789940D+01
               231           232           233           234           235 
      1  -0.736187D+01  0.220810D+00 -0.692820D+01 -0.127385D+01  0.254106D+02
      2   0.719716D+01 -0.897386D+00  0.836236D+01  0.201166D+01 -0.334606D+01
      3   0.164704D+00  0.676576D+00 -0.143416D+01 -0.737800D+00 -0.220646D+02
      4   0.143318D+01 -0.999697D-01  0.273742D+01 -0.753096D+00  0.431770D+02
      5   0.122700D+01  0.219757D+01 -0.514985D+00  0.294513D+00  0.102698D+02
      6   0.808411D+01  0.566434D+00  0.360222D+01  0.171697D+01  0.630393D+01
               236           237           238           239           240 
      1   0.133496D+02  0.423745D+01  0.114876D+02  0.260536D+01  0.864635D+00
      2   0.374764D+01 -0.907818D+00  0.936803D+01  0.207532D+02  0.266046D+01
      3  -0.170973D+02 -0.332963D+01 -0.208556D+02 -0.233585D+02 -0.352510D+01
      4   0.379214D+02  0.975535D+01  0.451178D+02  0.548095D+02  0.124249D+02
      5   0.747602D+01  0.788150D+01  0.958063D+01  0.950564D+01  0.840913D+01
      6   0.548837D+01  0.479128D+01  0.788528D+01  0.967082D+01  0.781697D+01
               241           242           243           244           245 
      1   0.552736D+01  0.197843D+01 -0.561461D+00  0.568424D+01 -0.976498D+01
      2   0.147227D+01  0.325687D+01  0.186677D+01 -0.642293D-01  0.251379D+01
      3  -0.699963D+01 -0.523530D+01 -0.130531D+01 -0.562001D+01  0.725120D+01
      4   0.135090D+02  0.134483D+02  0.572727D+01 -0.162439D+02  0.143262D+02
      5   0.146943D+01  0.412409D+01  0.313701D+01 -0.241209D+01  0.114178D+01
      6   0.494798D+00  0.405896D+01  0.264321D+01  0.679525D+00  0.246194D-01
               246           247           248           249           250 
      1  -0.119180D+01 -0.119077D+02 -0.301751D+01 -0.108173D+01 -0.158257D+01
      2   0.462504D+00 -0.494581D+00  0.155507D+02  0.843107D+00  0.371347D+00
      3   0.729294D+00  0.124023D+02 -0.125332D+02  0.238628D+00  0.121122D+01
      4   0.606588D+00  0.256037D+02 -0.383412D+02 -0.409453D+01  0.274107D+01
      5   0.136590D+01  0.347257D+01 -0.654518D+01 -0.464320D+01  0.905766D+00
      6  -0.571793D+00 -0.146452D+01  0.322562D+01  0.438286D+01 -0.193966D+01
               251           252           253           254           255 
      1  -0.174262D+01 -0.149706D+01  0.199785D+03 -0.356770D+01  0.173865D+02
      2   0.249146D+01  0.203745D+01 -0.104840D+03 -0.177210D+00 -0.101884D+02
      3  -0.748835D+00 -0.540395D+00 -0.949444D+02  0.374491D+01 -0.719815D+01
      4  -0.559978D+01 -0.620729D+00 -0.207219D+02  0.157190D+02 -0.190255D+01
      5   0.112931D-01 -0.344826D+00  0.196573D+02 -0.502333D+00  0.194400D+02
      6   0.147629D+01  0.111816D+01 -0.322715D+01  0.722254D+00 -0.248092D+01
               256           257           258           259           260 
      1   0.228791D+02  0.142988D+02  0.266994D+01  0.227922D+02  0.472253D+00
      2  -0.143083D+02 -0.713244D+01 -0.205854D+01 -0.133890D+02 -0.914401D+00
      3  -0.857083D+01 -0.716638D+01 -0.611394D+00 -0.940320D+01  0.442148D+00
      4   0.158434D+02  0.380885D+01  0.307607D+01 -0.263447D+01  0.371948D+01
      5   0.183175D+01  0.330784D+01  0.808982D+00  0.234635D+02 -0.340188D+01
      6   0.474544D+00 -0.432820D+00  0.157092D+01 -0.250841D+01  0.248463D+01
               261           262           263           264           265 
      1   0.159676D+02  0.758841D+01 -0.233822D+01 -0.887678D+01 -0.455566D+01
      2  -0.950841D+01 -0.445501D+01  0.180818D+01  0.353648D+01  0.666997D+00
      3  -0.645921D+01 -0.313340D+01  0.530043D+00  0.534030D+01  0.388866D+01
      4  -0.440719D+01 -0.129640D+00 -0.133708D+01  0.381988D+01  0.160900D+02
      5   0.525108D+01 -0.833498D+01  0.275143D+01 -0.267377D+01  0.123055D+02
      6  -0.522760D+00  0.244980D+01 -0.564341D+00  0.218071D+01 -0.423156D+01
               266           267           268           269           270 
      1   0.113969D+01  0.326797D+01 -0.324960D+02  0.837696D+01  0.182622D+01
      2   0.301664D+01  0.706700D+00  0.183405D+02 -0.243653D+01 -0.686535D+01
      3  -0.415633D+01 -0.397467D+01  0.141554D+02 -0.594043D+01  0.503913D+01
      4  -0.188463D+02 -0.151103D+02  0.245475D+02 -0.212571D+02 -0.239680D+02
      5  -0.153558D+02 -0.240838D+02  0.322545D+02 -0.245543D+02 -0.629316D+02
      6   0.611952D+01  0.106963D+02 -0.966625D+01  0.107125D+02  0.170711D+02
               271           272           273           274           275 
      1  -0.528094D+01 -0.527114D+01  0.118544D+02 -0.946828D+01 -0.684292D+01
      2   0.249487D+01  0.469688D+01 -0.588409D+01  0.208053D+01  0.136090D+02
      3   0.278607D+01  0.574260D+00 -0.597028D+01  0.738775D+01 -0.676609D+01
      4   0.360223D+01 -0.717252D+01  0.329385D+01  0.212193D+02 -0.390173D+02
      5   0.559201D+01  0.413637D+01 -0.983079D+01 -0.926154D+01  0.240457D+02
      6  -0.134443D+01 -0.354159D+01  0.541518D+01  0.561255D+01 -0.142258D+02
               276           277           278           279 
      1   0.747865D+01  0.213421D+02  0.300439D+01 -0.945616D+01
      2  -0.803564D+01 -0.944387D+01 -0.490938D+01  0.255470D+01
      3   0.556990D+00 -0.118982D+02  0.190499D+01  0.690147D+01
      4   0.250559D+02 -0.168578D+02  0.258684D+02 -0.258104D+02
      5  -0.282090D+02  0.166083D+02 -0.258039D+02  0.326696D+02
      6   0.141500D+02 -0.755062D+01  0.139374D+02 -0.149970D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.214228D+01      0.544512D+01      0.181630D+02
   y          0.125065D+00      0.317884D+00      0.106035D+01
   z         -0.766618D+00     -0.194855D+01     -0.649966D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.274092D+03      0.406162D+02      0.451916D+02
   yx         0.613465D+01      0.909062D+00      0.101147D+01
   yy         0.161835D+03      0.239815D+02      0.266830D+02
   zx         0.139700D+02      0.207014D+01      0.230334D+01
   zy         0.779260D+01      0.115474D+01      0.128483D+01
   zz         0.111053D+03      0.164563D+02      0.183101D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.198309D+03      0.293863D+02      0.326967D+02
   aniso      0.160913D+03      0.238448D+02      0.265309D+02
   xx         0.298384D+03      0.442159D+02      0.491968D+02
   yx         0.839565D+01      0.124411D+01      0.138426D+01
   yy         0.175451D+03      0.259991D+02      0.289279D+02
   zx         0.154082D+02      0.228327D+01      0.254048D+01
   zy         0.854767D+01      0.126663D+01      0.140932D+01
   zz         0.121091D+03      0.179439D+02      0.199653D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12685746         -1.31864198          1.24471617
     6          0.28961202          1.18640270          2.20845754
     6         -1.03045716         -1.73988336         -1.12581829
     6         -2.01048435          0.21538267         -2.53535818
     6         -1.83584601          2.70109470         -1.55441997
     6         -0.73006870          3.17223862          0.73533207
     6          1.13518463         -3.31629389          2.71589218
     1         -1.14868957         -3.66645946         -1.80418757
     1         -2.59941070          4.25103246         -2.65278720
     1         -0.62565157          5.08788170          1.44896937
     6         -3.16271156         -0.15736282         -5.12498158
     6         -4.31525535         -2.77973976         -5.58603279
     6         -1.29571400          0.38002939         -7.28501530
     1         -4.65695844          1.24137457         -5.37682931
     1         -5.70687771         -3.21333965         -4.13034074
     1         -2.88109261         -4.26021749         -5.57352635
     1         -5.23822744         -2.81484303         -7.42436782
     8         -1.96739865          0.97098024         -9.36568904
     8          1.17929421          0.05245810         -6.75797406
     1          1.38111168         -0.30869714         -4.97097078
     6          2.24205273         -2.86040468          4.99913785
     6          2.40344850         -0.36307919          5.95212358
     6          1.44314596          1.62490745          4.58176569
     8          3.54546113         -0.15948329          8.23878017
     6          3.78285036          2.28111217          9.32026527
     1          1.01785064         -5.23028163          2.00022694
     1          3.01765608         -4.37383521          6.13294247
     1          1.54494658          3.54218531          5.27438836
     1          4.73840661          2.01479593         11.11879294
     1          1.93044529          3.13882722          9.64364443
     1          4.91195261          3.52534945          8.11673721

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.227875D+01      0.579200D+01      0.193200D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.137999D+03      0.204493D+02      0.227529D+02
   yx        -0.503962D+01     -0.746794D+00     -0.830920D+00
   yy         0.162171D+03      0.240313D+02      0.267384D+02
   zx         0.629524D+02      0.932859D+01      0.103795D+02
   zy        -0.914512D+00     -0.135517D+00     -0.150783D+00
   zz         0.246810D+03      0.365734D+02      0.406934D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.198309D+03      0.293863D+02      0.326967D+02
   aniso      0.160913D+03      0.238448D+02      0.265309D+02
   xx         0.150480D+03      0.222988D+02      0.248107D+02
   yx        -0.616402D+01     -0.913414D+00     -0.101631D+01
   yy         0.175694D+03      0.260352D+02      0.289681D+02
   zx         0.685990D+02      0.101653D+02      0.113104D+02
   zy        -0.255078D+01     -0.377986D+00     -0.420566D+00
   zz         0.268752D+03      0.398249D+02      0.443112D+02

 ----------------------------------------------------------------------
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 WOMEN HOLD UP HALF THE SKY. -- MAO TSE TUNG
 Job cpu time:       0 days 20 hours 43 minutes 52.8 seconds.
 Elapsed time:       0 days  2 hours 35 minutes 52.6 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 20:48:51 2021.
